Chem
J-GLOBAL ID：200907056008965981   Nikkaji number：J1.465.846G

2,5,11,14-Tetradodecyl-8,17-dibromohexabenzo[bc,ef,hi,kl,no,qr]coronene

2,5,11,14-テトラドデシル-8,17-ジブロモヘキサベンゾ[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： C90H112Br2
Molecular formula furigana： C90-H112-BR2
Molecular weight： 1353.694
InChI： InChI=1S/C90H112Br2/c1-5-9-13-17-21-25-29-33-37-41-45-61-49-67-68-50-62(46-42-38-34-30-26-22-18-14-10-6-2)54-72-77-59-66(92)60-78-74-56-64(48-44-40-36-32-28-24-20-16-12-8-4)52-70-69-51-63(47-43-39-35-31-27-23-19-15-11-7-3)55-73-76-58-65(91)57-75-71(53-61)79(67)85-86(80(68)72)90(84(77)78)88(82(70)74)87(81(69)73)89(85)83(75)76/h49-60H,5-48H2,1-4H3
InChI key： KWHHJWZHLVDZLH-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1cc2c3cc(Br)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(CCCCCCCCCCCC)cc8c9cc(Br)cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name  (4)：
  • 4,18,27,41-テトラドデシル-13,32-ジブロモトリデカシクロ[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]ドテトラコンタン-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘニコサエン
  • 2,5,11,14-テトラドデシル-8,17-ジブロモヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 6,25-ジブロモ-11,20,34,39-テトラドデシルトリデカシクロ[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
  • 6,25-dibromo-11,20,34,39-tetradodecyltridecacyclo[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]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
Other name (2)：
  • 4,18,27,41-Tetradodecyl-13,32-dibromotridecacyclo[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]dotetracontane-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosene
  • 2,5,11,14-Tetradodecyl-8,17-dibromohexabenzo[bc,ef,hi,kl,no,qr]coronene
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