Chem
J-GLOBAL ID:200907094944554704   Nikkaji number:J2.367.648F

N,N′-Bis(1-heptyloctyl)-3,9-didecylcoronene-1,12:6,7-bis(dicarbimide)

N,N′-ビス(1-ヘプチルオクチル)-3,9-ジデシルコロネン-1,12:6,7-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: C78H110N2O4
Molecular formula furigana: C78-H110-N2-O4
Molecular weight: 1139.748
InChI: InChI=1S/C78H110N2O4/c1-7-13-19-25-27-29-35-37-43-55-49-57-51-63-70-66(78(84)80(75(63)81)60(47-41-33-23-17-11-5)48-42-34-24-18-12-6)54-62-56(44-38-36-30-28-26-20-14-8-2)50-58-52-64-69-65(53-61(55)71-67(57)74(70)72(62)68(58)73(69)71)77(83)79(76(64)82)59(45-39-31-21-15-9-3)46-40-32-22-16-10-4/h49-54,59-60H,7-48H2,1-6H3
InChI key: OROVKALIKAXZNY-UHFFFAOYSA-N
SMILES: CCCCCCCCCCc1cc2cc3c4c(cc5c(CCCCCCCCCC)cc6cc7c8c(cc1c1c2c4c5c6c81)c(=O)n(C(CCCCCCC)CCCCCCC)c7=O)c(=O)n(C(CCCCCCC)CCCCCCC)c3=O
Systematic name  (3):
  • N,N′-ビス(1-ヘプチルオクチル)-3,9-ジデシルコロネン-1,12:6,7-ビス(ジカルボイミド)
  • 13,24-ビス(デシル)-8,19-ビス(ペンタデカン-8-イル)-8,19-ジアザノナシクロ[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]トリアコンタ-1(29),2,4,6(30),10,12,14,16,21,23,25,27-ドデカエン-7,9,18,20-テトラオン
  • 13,24-bis(decyl)-8,19-bis(pentadecan-8-yl)-8,19-diazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1(29),2,4,6(30),10,12,14,16,21,23,25,27-dodecaene-7,9,18,20-tetrone
Other name (1):
  • N,N′-Bis(1-heptyloctyl)-3,9-didecylcoronene-1,12:6,7-bis(dicarbimide)
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