Chem
J-GLOBAL ID：200907014770786046   Nikkaji number：J1.561.381E

2,9-Dicyclohexyl-5,11-bis(1-methylbutyl)-2,9-diazadibenzo[bc,kl]coronene-1,3,8,10(2H,9H)-tetrone

2,9-ジシクロヘキシル-5,11-ビス(1-メチルブチル)-2,9-ジアザジベンゾ[bc,kl]コロネン-1,3,8,10(2H,9H)-テトラオン
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： C50H50N2O4
Molecular formula furigana： C50-H50-N2-O4
Molecular weight： 742.960
InChI： InChI=1S/C50H50N2O4/c1-5-13-25(3)32-22-28-23-35-43-45-39(28)42-33(32)24-36-40-34(47(53)51(49(36)55)29-15-9-7-10-16-29)21-27-19-20-31(41(45)38(27)44(40)42)37(26(4)14-6-2)46(43)50(56)52(48(35)54)30-17-11-8-12-18-30/h19-26,29-30H,5-18H2,1-4H3
InChI key： URHIOTCUHCBCJI-UHFFFAOYSA-N
SMILES： CCCC(C)c1cc2cc3c4c(c(C(C)CCC)c5ccc6cc7c8c(cc1c1c2c4c5c6c81)c(=O)n(C1CCCCC1)c7=O)c(=O)n(C1CCCCC1)c3=O
Systematic name  (3)：
  • 2,9-ジシクロヘキシル-5,11-ビス(1-メチルブチル)-2,9-ジアザジベンゾ[bc,kl]コロネン-1,3,8,10(2H,9H)-テトラオン
  • 8,19-ジシクロヘキシル-11,24-ビス(ペンタン-2-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
  • 8,19-dicyclohexyl-11,24-bis(pentan-2-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)：
  • 2,9-Dicyclohexyl-5,11-bis(1-methylbutyl)-2,9-diazadibenzo[bc,kl]coronene-1,3,8,10(2H,9H)-tetrone
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