Consensus flow list

2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone

fo-ddcb9211f7dc6f25

Identity

Type
Neutral molecule
CAS
67075-37-0
EC
266-564-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IIKSFQIOFHBWSO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2
IUPAC name chemrof:IUPAC_name 2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone
Molecular formula chemrof:molecular_formula C40H26N2O4
Molecular mass chemrof:molecular_mass 598.658
Monoisotopic mass chemrof:monoisotopic_mass 598.189257
SMILES string chemrof:smiles_string O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCc1ccccc1)c64)C(=O)N(CCc1ccccc1)C5=O

Known URLs

7

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=67075-37-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.494 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6070485 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S6T4B88FST enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.083A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/105396 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81997805 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fe834923-b076-4268-a4a5-9d76afe4b701 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
91469e25-7631-4a86-a426-fc785801b869 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
63e2240a-a0a2-4fb3-9a77-8d16de4838b8 Environmental → Air → Indoor EF 3.1 kg 4
8144b4b5-b5be-4e9b-8c87-feb7dd947832 Environmental → Air → Long-term EF 3.1 kg 0
47a348f7-63c2-4f30-a016-c98048e137a8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
717d42cf-b3de-4cb9-82f1-00930e73ca3a Environmental → Air → Unknown EF 3.1 kg 4
af61cf9c-7483-4087-8ed1-94e4472a5d04 Environmental → Ground → Agricultural EF 3.1 kg 4
b42f40ee-fae4-4814-a639-e60219700001 Environmental → Ground → Non-agricultural EF 3.1 kg 4
bcfb559a-46b3-41b2-a180-9069a8d28185 Environmental → Ground → Unknown EF 3.1 kg 4
d142874e-edee-4fa1-9870-79eca5f4418a Environmental → Water → Long-term EF 3.1 kg 0
1f4e8a6d-c607-4d30-8846-42fb963e4aa8 Environmental → Water → Ocean EF 3.1 kg 4
2552d739-7f0d-473f-93f6-d404c72c1e36 Environmental → Water → Surface water EF 3.1 kg 4
b1b15112-391d-402f-a397-f93a83bac141 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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}

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