Consensus flow list

Identity

Type
Neutral molecule
CAS
54660-00-3
EC
402-400-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3,6-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KKLJFKIBTOBVJI-UHFFFAOYSA-N, NRFGZRDKOOBNDN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10,15H,(H,19,22), InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10,19,22H
IUPAC name chemrof:IUPAC_name 1,4-diphenyl-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione, 1,4-diphenyl-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-quinone, 3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one, 3-oxidanyl-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
Molecular formula chemrof:molecular_formula C18H12N2O2
SMILES string chemrof:smiles_string C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=CC=C4, C1=CC=C(C=C1)C2C3=C(C(=NC3=O)C4=CC=CC=C4)C(=O)N2

Known URLs

8

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=54660-00-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.405 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2068971 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5QGL2U8KQA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.967H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/141029345 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/625613 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126601494 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8da93eb9-cd58-4c44-8aee-a828804bac44 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
22d08d06-0707-4ceb-8892-758d4948fa8f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
313fffa4-70c9-4ec7-881f-1df94eb8ad10 Environmental → Air → Indoor EF 3.1 kg 2
e77fc69c-0312-4a9d-9cee-43ad5a4b80cb Environmental → Air → Long-term EF 3.1 kg 0
812502e8-3fe8-45db-8c44-67f7903d11f0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2f0de0c8-2993-46e3-8689-ac9118fdf4aa Environmental → Air → Unknown EF 3.1 kg 2
1d8cf3a6-0e59-436d-b8c4-7b5a11a66d85 Environmental → Ground → Agricultural EF 3.1 kg 2
88e3a1b2-2cb7-4685-a3ca-cef5e6ca39fc Environmental → Ground → Non-agricultural EF 3.1 kg 2
10d79202-aa90-4f55-9b2e-1c8c2982733d Environmental → Ground → Unknown EF 3.1 kg 2
d2f7b45e-f7e5-45b1-a73b-f819ad2d6c21 Environmental → Water → Long-term EF 3.1 kg 0
e8b8cce1-1489-4313-9744-02f09d8d30b5 Environmental → Water → Ocean EF 3.1 kg 2
c2a84d55-9190-409c-a839-1f11cafb42d7 Environmental → Water → Surface water EF 3.1 kg 2
55efc954-1ff2-4726-8594-34b34a81df9c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
      "@value": "Pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-dihydro-3,6-diphenyl-",
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  "properties": {
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