Chem
J-GLOBAL ID:200907098476917620   Nikkaji number:J1.225.142D

4′,4′′′-[1,8-Octanediylbis(oxy-p-phenylenenitrilomethylidyne-p-phenyleneoxy-1,12-dodecanediyloxy)]bis(biphenyl-4-carbonitrile)

4′,4′′′-[1,8-オクタンジイルビス(オキシ-p-フェニレンニトリロメチリジン-p-フェニレンオキシ-1,12-ドデカンジイルオキシ)]ビス(ビフェニル-4-カルボニトリル)
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: C84H98N4O6
Molecular formula furigana: C84-H98-N4-O6
Molecular weight: 1259.730
InChI: InChI=1S/C84H98N4O6/c85-65-69-27-35-73(36-28-69)75-39-51-81(52-40-75)91-61-23-17-11-7-3-1-5-9-15-21-59-89-79-47-31-71(32-48-79)67-87-77-43-55-83(56-44-77)93-63-25-19-13-14-20-26-64-94-84-57-45-78(46-58-84)88-68-72-33-49-80(50-34-72)90-60-22-16-10-6-2-4-8-12-18-24-62-92-82-53-41-76(42-54-82)74-37-29-70(66-86)30-38-74/h27-58,67-68H,1-26,59-64H2
InChI key: KLOGWDCXZFYFME-UHFFFAOYSA-N
SMILES: N#Cc1ccc(cc1)c1ccc(OCCCCCCCCCCCCOc2ccc(C=Nc3ccc(OCCCCCCCCOc4ccc(cc4)N=Cc4ccc(OCCCCCCCCCCCCOc5ccc(cc5)c5ccc(cc5)C#N)cc4)cc3)cc2)cc1
Systematic name  (3):
  • 4′,4′′′-[1,8-オクタンジイルビス(オキシ-p-フェニレンニトリロメチリジン-p-フェニレンオキシ-1,12-ドデカンジイルオキシ)]ビス(ビフェニル-4-カルボニトリル)
  • 4'-{[12-(4-{[(4-{[8-(4-{[(4-{[12-({4'-シアノ-[1,1'-ビフェニル]-4-イル}オキシ)ドデシル]オキシ}フェニル)メチリデン]アミノ}フェノキシ)オクチル]オキシ}フェニル)イミノ]メチル}フェノキシ)ドデシル]オキシ}-[1,1'-ビフェニル]-4-カルボニトリル
  • 4'-{[12-(4-{[(4-{[8-(4-{[(4-{[12-({4'-cyano-[1,1'-biphenyl]-4-yl}oxy)dodecyl]oxy}phenyl)methylidene]amino}phenoxy)octyl]oxy}phenyl)imino]methyl}phenoxy)dodecyl]oxy}-[1,1'-biphenyl]-4-carbonitrile
Other name (1):
  • 4′,4′′′-[1,8-Octanediylbis(oxy-p-phenylenenitrilomethylidyne-p-phenyleneoxy-1,12-dodecanediyloxy)]bis(biphenyl-4-carbonitrile)
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