Chem
J-GLOBAL ID：200907050352351463
Nikkaji number：J1.465.843B
2-Bromo-5,8,11,14,17-pentadodecylhexabenzo[bc,ef,hi,kl,no,qr]coronene
2-ブロモ-5,8,11,14,17-ペンタドデシルヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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
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
Molecular formula： C102H137Br
Molecular formula furigana： C102-H137-BR
Molecular weight： 1443.122
InChI：
InChI=1S/C102H137Br/c1-6-11-16-21-26-31-36-41-46-51-56-73-61-79-81-63-74(57-52-47-42-37-32-27-22-17-12-7-2)65-83-85-67-76(59-54-49-44-39-34-29-24-19-14-9-4)69-87-89-71-78(103)72-90-88-70-77(60-55-50-45-40-35-30-25-20-15-10-5)68-86-84-66-75(58-53-48-43-38-33-28-23-18-13-8-3)64-82-80(62-73)91(79)97-98(92(81)83)100(94(85)87)102(96(89)90)101(95(86)88)99(97)93(82)84/h61-72H,6-60H2,1-5H3
InChI key：
PQIVQSFOLLTYGT-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCc1cc2c3cc(Br)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(CCCCCCCCCCCC)cc8c9cc(CCCCCCCCCCCC)cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name (4)：
- 2-ブロモ-5,8,11,14,17-ペンタドデシルヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
- 4,13,18,27,32-ペンタドデシル-41-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
- 6-ブロモ-11,20,25,34,39-ペンタ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-bromo-11,20,25,34,39-pentadodecyltridecacyclo[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
- 4,13,18,27,32-Pentadodecyl-41-bromotridecacyclo[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-Bromo-5,8,11,14,17-pentadodecylhexabenzo[bc,ef,hi,kl,no,qr]coronene
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