Consensus flow list

Identity

Type
Neutral molecule
CAS
3558-69-8
EC
222-620-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,6-diphenylpyridine

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PJUOHDQXFNPPRF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H
IUPAC name chemrof:IUPAC_name 2,6-diphenylpyridine
Molecular formula chemrof:molecular_formula C17H13N
Molecular mass chemrof:molecular_mass 231.298
Monoisotopic mass chemrof:monoisotopic_mass 231.104799
SMILES string chemrof:smiles_string c1ccc(-c2cccc(-c3ccccc3)n2)cc1

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3558-69-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.564 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022209 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=133378 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1330164 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZI75V15Y1T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.747B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/72920 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020374 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27295565 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ab25372f-72a5-4ad4-8453-810f7463d58c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6a38e06c-c7e6-408d-a5ba-fd12c3666bdf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7a457a7e-0503-47b0-ba19-1669a0391b6a Environmental → Air → Indoor EF 3.1 kg 2
1795bd41-54c2-4268-8e7b-1b5c7064f1c0 Environmental → Air → Long-term EF 3.1 kg 0
b9d38551-19da-4522-b006-27dc2b0d3a96 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
531153e7-668d-469d-8a0e-88d9e40a02c4 Environmental → Air → Unknown EF 3.1 kg 2
756ae537-a47b-4dc4-8861-ac7a3797434c Environmental → Ground → Agricultural EF 3.1 kg 2
b79082c0-0b57-46f3-8d6b-df69108982d5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
214a3269-08c3-4564-b294-b2d151eac5d4 Environmental → Ground → Unknown EF 3.1 kg 2
8e59816a-b602-4a4b-88b4-806d244db80b Environmental → Water → Long-term EF 3.1 kg 0
3b25f015-d376-41d3-80cb-f99e51378afd Environmental → Water → Ocean EF 3.1 kg 2
185511a5-12a9-4144-a449-c584776a905e Environmental → Water → Surface water EF 3.1 kg 2
3c078ebf-a436-459b-bc2c-491030a57210 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9e5e7b76a32a15ae",
  "prefLabel": [
    {
      "@value": "2,6-diphenylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Pyridine, 2,6-diphenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3558-69-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3558-69-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H13N"
      ],
      "attested_by": {
        "C17H13N": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "c1ccc(-c2cccc(-c3ccccc3)n2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PJUOHDQXFNPPRF-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
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        {
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "rdfs:label": "InChI",
      "@value": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "231.298": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "c1ccc(-c2cccc(-c3ccccc3)n2)cc1"
          ]
        }
      ],
      "attested_by": {
        "231.104799": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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    },
    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1795bd41-54c2-4268-8e7b-1b5c7064f1c0",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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