Chem
J-GLOBAL ID：200907017050500497   Nikkaji number：J1.508.612B

2,5,8,11,14,17-Hexa(3,7-dimethyloctyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene

2,5,8,11,14,17-ヘキサ(3,7-ジメチルオクチル)ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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： C102H138
Molecular formula furigana： C102-H138
Molecular weight： 1364.226
InChI： InChI=1S/C102H138/c1-61(2)25-19-31-67(13)37-43-73-49-79-81-51-74(44-38-68(14)32-20-26-62(3)4)53-83-85-55-76(46-40-70(16)34-22-28-64(7)8)57-87-89-59-78(48-42-72(18)36-24-30-66(11)12)60-90-88-58-77(47-41-71(17)35-23-29-65(9)10)56-86-84-54-75(45-39-69(15)33-21-27-63(5)6)52-82-80(50-73)91(79)97-98(92(81)83)100(94(85)87)102(96(89)90)101(95(86)88)99(97)93(82)84/h49-72H,19-48H2,1-18H3
InChI key： ZYUBTBCOOWJPPG-UHFFFAOYSA-N
SMILES： CC(C)CCCC(C)CCc1cc2c3cc(CCC(C)CCCC(C)C)cc4c5cc(CCC(C)CCCC(C)C)cc6c7cc(CCC(C)CCCC(C)C)cc8c9cc(CCC(C)CCCC(C)C)cc%10c%11cc(CCC(C)CCCC(C)C)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name  (6)：
  • 2,5,8,11,14,17-ヘキサキス(3,7-ジメチルオクチル)ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 5,5′,5′′,5′′′,5′′′′,5′′′′′-ヘキサキス(3,7-ジメチルオクチル)-2,2′,2′′,2′′′,2′′′′,2′′′′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-3,1′′′′′-シクロ-1,3′:1′,3′′:1′′,3′′′:1′′′,3′′′′:1′′′′,3′′′′′-セキシベンゼン
  • 5,5′,5′′,5′′′,5′′′′,5′′′′′-ヘキサキス(3,7-ジメチルオクチル)-2,2′,2′′,2′′′,2′′′′,2′′′′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-1,3′′′′′-シクロ-1′,3:1′′,3′:1′′′,3′′:1′′′′,3′′′:1′′′′′,3′′′′-セキシベンゼン
  • 2,5,8,11,14,17-ヘキサ(3,7-ジメチルオクチル)ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 6,11,20,25,34,39-ヘキサキス(3,7-ジメチルオクチル)トリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン
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Other name (4)：
  • 2,5,8,11,14,17-Hexakis(3,7-dimethyloctyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene
  • 5,5′,5′′,5′′′,5′′′′,5′′′′′-Hexakis(3,7-dimethyloctyl)-2,2′,2′′,2′′′,2′′′′,2′′′′′-(1,2,3,4,5,6-benzenehexyl)-3,1′′′′′-cyclo-1,3′:1′,3′′:1′′,3′′′:1′′′,3′′′′:1′′′′,3′′′′′-sexibenzene
  • 5,5′,5′′,5′′′,5′′′′,5′′′′′-Hexakis(3,7-dimethyloctyl)-2,2′,2′′,2′′′,2′′′′,2′′′′′-(1,2,3,4,5,6-benzenehexyl)-1,3′′′′′-cyclo-1′,3:1′′,3′:1′′′,3′′:1′′′′,3′′′:1′′′′′,3′′′′-sexibenzene
  • 2,5,8,11,14,17-Hexa(3,7-dimethyloctyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene
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