Chem
J-GLOBAL ID:200907017182914630   Nikkaji number:J733.150I

2′′′,5′′′-Didodecyl-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′:4′′′′′,1′′′′′′-septibenzene

4'-{[1,1'-ビフェニル]-4-イル}-4-(4-{[1,1'-ビフェニル]-4-イル}フェニル)-2,5-ジドデシル-1,1'-ビフェニル
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: C66H78
Molecular formula furigana: C66-H78
Molecular weight: 871.350
InChI: InChI=1S/C66H78/c1-3-5-7-9-11-13-15-17-19-23-33-63-51-66(62-49-45-60(46-50-62)58-41-37-56(38-42-58)54-31-27-22-28-32-54)64(34-24-20-18-16-14-12-10-8-6-4-2)52-65(63)61-47-43-59(44-48-61)57-39-35-55(36-40-57)53-29-25-21-26-30-53/h21-22,25-32,35-52H,3-20,23-24,33-34H2,1-2H3
InChI key: DUMPPPJZXPGGFW-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc1cc(c(CCCCCCCCCCCC)cc1c1ccc(cc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccc(cc1)c1ccccc1
Systematic name  (3):
  • 2′′′,5′′′-ジドデシル-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′:4′′′′′,1′′′′′′-セプチベンゼン
  • 4'-{[1,1'-ビフェニル]-4-イル}-4-(4-{[1,1'-ビフェニル]-4-イル}フェニル)-2,5-ジドデシル-1,1'-ビフェニル
  • 4'-{[1,1'-biphenyl]-4-yl}-4-(4-{[1,1'-biphenyl]-4-yl}phenyl)-2,5-didodecyl-1,1'-biphenyl
Other name (1):
  • 2′′′,5′′′-Didodecyl-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′:4′′′′′,1′′′′′′-septibenzene
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