Chem
J-GLOBAL ID:200907067758820430   Nikkaji number:J2.367.647H

N,N′-Bis(1-heptyloctyl)benzo[1,2,3-cd:4,5,6-c′d′]diperylene-3,4:13,14-bis(dicarbimide)

N,N′-ビス(1-ヘプチルオクチル)ベンゾ[1,2,3-cd:4,5,6-c′d′]ジペリレン-3,4:13,14-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: C74H78N2O4
Molecular formula furigana: C74-H78-N2-O4
Molecular weight: 1059.448
InChI: InChI=1S/C74H78N2O4/c1-5-9-13-17-21-25-45(26-22-18-14-10-6-2)75-71(77)59-41-37-55-51-33-29-47-49-31-35-53-57-39-43-61-70-62(74(80)76(73(61)79)46(27-23-19-15-11-7-3)28-24-20-16-12-8-4)44-40-58(68(57)70)54-36-32-50(64(49)66(53)54)48-30-34-52(65(51)63(47)48)56-38-42-60(72(75)78)69(59)67(55)56/h29-46H,5-28H2,1-4H3
InChI key: RKKHVXREXSDYDE-UHFFFAOYSA-N
SMILES: CCCCCCCC(CCCCCCC)n1c(=O)c2ccc3c4ccc5c6ccc7c8ccc9c%10c(ccc(c%11ccc(c%12ccc(c%13ccc(c2c3%13)c1=O)c4c5%12)c6c7%11)c8%10)c(=O)n(C(CCCCCCC)CCCCCCC)c9=O
Systematic name  (3):
  • N,N′-ビス(1-ヘプチルオクチル)ベンゾ[1,2,3-cd:4,5,6-c′d′]ジペリレン-3,4:13,14-ビス(ジカルボイミド)
  • 11,30-ビス(ペンタデカン-8-イル)-11,30-ジアザトリデカシクロ[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]ヘキサテトラコンタ-1(38),2(46),3,5(45),6(44),7,9(43),13,15,17,19,21,23,25(42),26,28(41),32,34,36,39-イコサエン-10,12,29,31-テトラオン
  • 11,30-bis(pentadecan-8-yl)-11,30-diazatridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(38),2(46),3,5(45),6(44),7,9(43),13,15,17,19,21,23,25(42),26,28(41),32,34,36,39-icosaene-10,12,29,31-tetrone
Other name (1):
  • N,N′-Bis(1-heptyloctyl)benzo[1,2,3-cd:4,5,6-c′d′]diperylene-3,4:13,14-bis(dicarbimide)
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