Chem
J-GLOBAL ID:200907017266625391   Nikkaji number:J2.600.503E

3,3′,3′′-[1,3,5-Benzenetriyltris[(2,1-ethynediyl)(1,12-dimethylbenzo[c]phenanthrene-8,5-diyl)(2,1-ethynediyl)]]tris(benzoic acid methyl) ester

3,3′,3′′-[1,3,5-ベンゼントリイルトリス[(2,1-エチンジイル)(1,12-ジメチルベンゾ[c]フェナントレン-8,5-ジイル)(2,1-エチンジイル)]]トリス(安息香酸メチル)
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: C102H66O6
Molecular formula furigana: C102-H66-O6
Molecular weight: 1387.644
InChI: InChI=1S/C102H66O6/c1-61-19-10-31-85-73(43-37-67-25-16-28-79(52-67)100(103)106-7)55-82-58-76(88-34-13-22-64(4)94(88)97(82)91(61)85)46-40-70-49-71(41-47-77-59-83-56-74(44-38-68-26-17-29-80(53-68)101(104)107-8)86-32-11-20-62(2)92(86)98(83)95-65(5)23-14-35-89(77)95)51-72(50-70)42-48-78-60-84-57-75(45-39-69-27-18-30-81(54-69)102(105)108-9)87-33-12-21-63(3)93(87)99(84)96-66(6)24-15-36-90(78)96/h10-36,49-60H,1-9H3
InChI key: SRTLMUOHOOMCRJ-UHFFFAOYSA-N
SMILES: COC(=O)c1cccc(c1)C#Cc1cc2cc(C#Cc3cc(cc(c3)C#Cc3cc4cc(C#Cc5cccc(c5)C(=O)OC)c5cccc(C)c5c4c4c(C)cccc34)C#Cc3cc4cc(C#Cc5cccc(c5)C(=O)OC)c5cccc(C)c5c4c4c(C)cccc34)c3cccc(C)c3c2c2c(C)cccc12
Systematic name  (3):
  • 3,3′,3′′-[1,3,5-ベンゼントリイルトリス[(2,1-エチンジイル)(1,12-ジメチルベンゾ[c]フェナントレン-8,5-ジイル)(2,1-エチンジイル)]]トリス(安息香酸メチル)
  • メチル 3-{2-[8-(2-{3,5-ビス[2-(8-{2-[3-(メトキシカルボニル)フェニル]エチニル}-1,12-ジメチルベンゾ[c]フェナントレン-5-イル)エチニル]フェニル}エチニル)-1,12-ジメチルベンゾ[c]フェナントレン-5-イル]エチニル}ベンゾアート
  • methyl 3-{2-[8-(2-{3,5-bis[2-(8-{2-[3-(methoxycarbonyl)phenyl]ethynyl}-1,12-dimethylbenzo[c]phenanthren-5-yl)ethynyl]phenyl}ethynyl)-1,12-dimethylbenzo[c]phenanthren-5-yl]ethynyl}benzoate
Other name (1):
  • 3,3′,3′′-[1,3,5-Benzenetriyltris[(2,1-ethynediyl)(1,12-dimethylbenzo[c]phenanthrene-8,5-diyl)(2,1-ethynediyl)]]tris(benzoic acid methyl) ester
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