Consensus flow list

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

fo-b6129396e8809193

Identity

Type
Neutral molecule
CAS
3049-71-6
EC
221-264-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

26

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PXUJYZVHENREBB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C48H26N6O4/c55-45-37-23-19-33-35-21-25-39-44-40(48(58)54(47(39)57)32-17-13-30(14-18-32)52-50-28-9-5-2-6-10-28)26-22-36(42(35)44)34-20-24-38(43(37)41(33)34)46(56)53(45)31-15-11-29(12-16-31)51-49-27-7-3-1-4-8-27/h1-26H
IUPAC name chemrof:IUPAC_name 2,9-bis[4-(phenyldiazenyl)phenyl]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 C48H26N6O4
Molecular mass chemrof:molecular_mass 750.774
Monoisotopic mass chemrof:monoisotopic_mass 750.201553
SMILES string chemrof:smiles_string O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(N=Nc2ccccc2)cc1)c64)C(=O)N(c1ccc(N=Nc2ccccc2)cc1)C5=O

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=3049-71-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.332 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1051983 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5RL942J1M2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.356J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62476 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126615244 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pigment_Red_178 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5227e45e-f8be-4ca8-8c9a-85892faba0c4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ae77afaa-e818-49af-9cbf-447ed293746a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ee2c9b88-7576-4395-a4b2-aed8c167f8b4 Environmental → Air → Indoor EF 3.1 kg 4
f2e68069-c4f9-4b93-a034-1782c5650972 Environmental → Air → Long-term EF 3.1 kg 0
264e0483-f0f8-4209-a996-6cf3779dc884 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
24158335-8f14-4aec-bf87-b0607bf99101 Environmental → Air → Unknown EF 3.1 kg 4
d3f4e366-cb67-4dbf-ba8f-0b5fe002bb94 Environmental → Ground → Agricultural EF 3.1 kg 4
d93942eb-a57e-479a-b5bf-48a2cc96ffea Environmental → Ground → Non-agricultural EF 3.1 kg 4
a0921d08-ddaa-456e-a4fe-16d46b0aa9b9 Environmental → Ground → Unknown EF 3.1 kg 4
27a30d98-f60a-4978-9a58-cf710d8292a1 Environmental → Water → Long-term EF 3.1 kg 0
3710e017-c2cf-45aa-856e-7f9c5c0e89e8 Environmental → Water → Ocean EF 3.1 kg 4
a43ae8ba-a027-49e5-8d33-457bb7e33042 Environmental → Water → Surface water EF 3.1 kg 4
d07feeb4-594a-4b12-8005-42967e1fa654 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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