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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

2D structure
UUID bcfb559a-46b3-41b2-a180-9069a8d28185
Deprecated yes
Replaced By b42f40ee-fae4-4814-a639-e60219700001
Flow Object IDfo-ddcb9211f7dc6f25
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 67075-37-0
EC Numbers 266-564-7
prefLabel
Language Value Provenance
en 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
altLabel
Language Value Provenance
en 2,9-Bis(2-phenylethyl)anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone
en 2,9-Diphenethylanthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetraone
en <em>N</em>,<em>N</em>′-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)
en <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)-3,4:9,10-perylenetetracarboxylic diimide
en <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4,9,10-dicarboximide
en <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide)
en <em>N</em>,<em>N</em>′-Bis-(2-phenylethyl)pyrene-3,4,9,10-dicarbodiimide
en <em>N</em>,<em>N</em>′-Diphenethyl-3,4,9,10-perylenetetracarboxylic diimide
en Anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, 2,9-bis(2-phenylethyl)-
en Black S 0084
en C.I. 71132
en C.I. Pigment Black 31
en PEPTC
en PPEI
en Paliogen 0084
en Paliogen Black L 0084
en Paliogen Black S 0084
en Paliogen S 0084
en Pallogen Black S 0084
en Perylene-3,4:9,10-tetracarboxylic acid bis(β-phenylethylimide)
en Pigment Black 31
en Spectrasense Black S 0084
References
Shared Properties
Predicate Value
InChIKey IIKSFQIOFHBWSO-UHFFFAOYSA-N, OWPZHZLFHYVGTA-UHFFFAOYSA-N, XBRCPAMBVIZHBB-UHFFFAOYSA-N
InChI 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 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 C23H22O8, C40H26N2O4, C40H28N2O4
Molecular mass 598.658
Monoisotopic mass 598.189257
SMILES O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCc1ccccc1)c64)C(=O)N(CCc1ccccc1)C5=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 bcfb559a-46b3-41b2-a180-9069a8d28185 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

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=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||dimension=Environmental > media=Water > water_body=Ocean; cas=67075-37-0; added Common Chemistry CAS names as altLabel: 2,9-Bis(2-phenylethyl)anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, 2,9-Diphenethylanthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetraone, <em>N</em>,<em>N</em>′-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide), <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)-3,4:9,10-perylenetetracarboxylic diimide, <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4,9,10-dicarboximide, <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide), <em>N</em>,<em>N</em>′-Bis-(2-phenylethyl)pyrene-3,4,9,10-dicarbodiimide, <em>N</em>,<em>N</em>′-Diphenethyl-3,4,9,10-perylenetetracarboxylic diimide, Anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, 2,9-bis(2-phenylethyl)-, Black S 0084, C.I. 71132, C.I. Pigment Black 31, PEPTC, PPEI, Paliogen 0084, Paliogen Black L 0084, Paliogen Black S 0084, Paliogen S 0084, Pallogen Black S 0084, Perylene-3,4:9,10-tetracarboxylic acid bis(β-phenylethylimide), Pigment Black 31, Spectrasense Black S 0084; object_uuid=fo-ddcb9211f7dc6f25
cas_match_labels 1 consensus_match group_key=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||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'67075-37-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ddcb9211f7dc6f25: {'67075-37-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': "2,9-Bis(2-phenylethyl)anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': "2,9-Diphenethylanthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetraone", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Bis(2-phenylethyl)-3,4:9,10-perylenetetracarboxylic diimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4,9,10-dicarboximide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Bis-(2-phenylethyl)pyrene-3,4,9,10-dicarbodiimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Diphenethyl-3,4,9,10-perylenetetracarboxylic diimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': "Anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, 2,9-bis(2-phenylethyl)-", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Black S 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 71132', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Pigment Black 31', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PEPTC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PPEI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliogen 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliogen Black L 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliogen Black S 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliogen S 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pallogen Black S 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Perylene-3,4:9,10-tetracarboxylic acid bis(β-phenylethylimide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pigment Black 31', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spectrasense Black S 0084', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:67075-37-0', 'https://commonchemistry.cas.org/detail?cas_rn=67075-37-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=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||dimension=Environmental > media=Water > water_body=Ocean; cas=67075-37-0; added Common Chemistry CAS names as altLabel: 2,9-Bis(2-phenylethyl)anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, 2,9-Diphenethylanthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetraone, <em>N</em>,<em>N</em>′-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide), <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)-3,4:9,10-perylenetetracarboxylic diimide, <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4,9,10-dicarboximide, <em>N</em>,<em>N</em>′-Bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide), <em>N</em>,<em>N</em>′-Bis-(2-phenylethyl)pyrene-3,4,9,10-dicarbodiimide, <em>N</em>,<em>N</em>′-Diphenethyl-3,4,9,10-perylenetetracarboxylic diimide, Anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, 2,9-bis(2-phenylethyl)-, Black S 0084, C.I. 71132, C.I. Pigment Black 31, PEPTC, PPEI, Paliogen 0084, Paliogen Black L 0084, Paliogen Black S 0084, Paliogen S 0084, Pallogen Black S 0084, Perylene-3,4:9,10-tetracarboxylic acid bis(β-phenylethylimide), Pigment Black 31, Spectrasense Black S 0084; object_uuid=fo-ddcb9211f7dc6f25
cas_match_labels None {'67075-37-0': 'exactMatch'} group_key=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||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'67075-37-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ddcb9211f7dc6f25: {'67075-37-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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    "geography": "Unknown"
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  "general_comment": null,
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  "unit": "kg",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.3311e-12
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.00001623
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