Consensus flow list

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

fo-1f4263fcbf120dc7

Identity

Type
Neutral molecule
CAS
4948-15-6
EC
225-590-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FDXVHZCFTCIKDD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3
IUPAC name chemrof:IUPAC_name 2,9-bis(3,5-dimethylphenyl)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 Cc1cc(C)cc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cc(C)cc(C)c2)C6=O)c1

Known URLs

11

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=4948-15-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.264 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4052130 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZZA8XO3AWA enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031986 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.40.15 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.90.25 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J203.203A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62555 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q18392589 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pigment_Red_149 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
50d1fce8-02c5-4edf-ad76-2be5a77fce1d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
97d17051-3367-4c28-8e91-0d8fe28cd23d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c82bd726-28bb-4fb1-b982-560a740bdf80 Environmental → Air → Indoor EF 3.1 kg 4
178cc0ec-7e6b-4ece-9387-d0fc549070a4 Environmental → Air → Long-term EF 3.1 kg 0
4d964e10-3462-457f-b05e-a6eee2a1d495 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
97e7829c-c6b8-4a49-80e5-c40be503b2a0 Environmental → Air → Unknown EF 3.1 kg 4
f94ee047-5470-4cf1-8e3b-82e8d6323f11 Environmental → Ground → Agricultural EF 3.1 kg 4
13364129-5ce5-49ad-894b-fee8ff09b348 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f23a72cf-0276-46f5-8a83-5e775acbf821 Environmental → Ground → Unknown EF 3.1 kg 4
c81148fb-7f53-4b32-9e95-7600eec8cc39 Environmental → Water → Long-term EF 3.1 kg 0
79255c46-7800-4b6f-bdb5-80f9315375cb Environmental → Water → Ocean EF 3.1 kg 4
46ad200c-8ecf-4120-af66-59a2103cf764 Environmental → Water → Surface water EF 3.1 kg 4
d534bf9b-05eb-40ba-8335-c83ca408ea7b 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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