Chem
J-GLOBAL ID：200907012460110619   Nikkaji number：J2.329.930E

1,7-Dicyano-N,N′-dioctylperylene-3,4:9,10-bisdicarbimide

1,7-ジシアノ-N,N′-ジオクチルペリレン-3,4:9,10-ビスジカルボイミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C42H40N4O4
Molecular formula furigana： C42-H40-N4-O4
Molecular weight： 664.806
InChI： InChI=1S/C42H40N4O4/c1-3-5-7-9-11-13-19-45-39(47)29-17-15-27-34-26(24-44)22-32-36-30(40(48)46(42(32)50)20-14-12-10-8-6-4-2)18-16-28(38(34)36)33-25(23-43)21-31(41(45)49)35(29)37(27)33/h15-18,21-22H,3-14,19-20H2,1-2H3
InChI key： BDFIPIUOMGJPLJ-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(cc(c2c37)c1=O)C#N)c46)c(=O)n(CCCCCCCC)c5=O)C#N
Systematic name  (13)：
  • 2,9-ビスオクチル-5,12-ジシアノアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
  • N,N′-ジオクチル-1,7-ジシアノペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 6,13-ジシアノ-2,9-ジオクチルアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
  • 2,9-ジオクチル-1,3,8,10-テトラオキソ-1,2,3,8,9,10-ヘキサヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-5,12-ジカルボニトリル
  • 2,9-ジオクチル-1,3,8,10-テトラオキソ-1,2,3,8,9,10-ヘキサヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-6,13-ジカルボニトリル
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Other name (11)：
  • 2,9-Bisoctyl-5,12-dicyanoanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • N,N′-Dioctyl-1,7-dicyanoperylene-3,4:9,10-bis(dicarbimide)
  • 6,13-Dicyano-2,9-dioctylanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • 2,9-Dioctyl-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-5,12-dicarbonitrile
  • 2,9-Dioctyl-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-6,13-dicarbonitrile
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