Chem
J-GLOBAL ID：200907002057142041   Nikkaji number：J2.583.552B

3,3′-[2,5-Bis(dodecyloxy)-1,4-phenylenebisvinylenebis(1,4-phenylene)]bis[1,1,4,4-tetracyano-2-[4-(dimethylamino)phenyl]-1,3-butadiene]

3,3′-[2,5-ビス(ドデシルオキシ)-1,4-フェニレンビスビニレンビス(1,4-フェニレン)]ビス[1,1,4,4-テトラシアノ-2-[4-(ジメチルアミノ)フェニル]-1,3-ブタジエン]
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： C78H84N10O2
Molecular formula furigana： C78-H84-N10-O2
Molecular weight： 1193.598
InChI： InChI=1S/C78H84N10O2/c1-7-9-11-13-15-17-19-21-23-25-47-89-73-49-66(38-32-60-29-35-62(36-30-60)76(68(53-81)54-82)78(70(57-85)58-86)64-41-45-72(46-42-64)88(5)6)74(90-48-26-24-22-20-18-16-14-12-10-8-2)50-65(73)37-31-59-27-33-61(34-28-59)75(67(51-79)52-80)77(69(55-83)56-84)63-39-43-71(44-40-63)87(3)4/h27-46,49-50H,7-26,47-48H2,1-6H3
InChI key： YSPMGUHZICQWBC-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C=Cc2ccc(cc2)C(=C(C#N)C#N)C(=C(C#N)C#N)c2ccc(cc2)N(C)C)c(OCCCCCCCCCCCC)cc1C=Cc1ccc(cc1)C(=C(C#N)C#N)C(=C(C#N)C#N)c1ccc(cc1)N(C)C
Systematic name  (3)：
  • 3,3′-[2,5-ビス(ドデシルオキシ)-1,4-フェニレンビスビニレンビス(1,4-フェニレン)]ビス[1,1,4,4-テトラシアノ-2-[4-(ジメチルアミノ)フェニル]-1,3-ブタジエン]
  • 2-(4-{2-[2,5-ビス(ドデシルオキシ)-4-[2-(4-{1,1,4,4-テトラシアノ-3-[4-(ジメチルアミノ)フェニル]ブタ-1,3-ジエン-2-イル}フェニル)エテニル]フェニル]エテニル}フェニル)-3-[4-(ジメチルアミノ)フェニル]ブタ-1,3-ジエン-1,1,4,4-テトラカルボニトリル
  • 2-(4-{2-[2,5-bis(dodecyloxy)-4-[2-(4-{1,1,4,4-tetracyano-3-[4-(dimethylamino)phenyl]buta-1,3-dien-2-yl}phenyl)ethenyl]phenyl]ethenyl}phenyl)-3-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
Other name (1)：
  • 3,3′-[2,5-Bis(dodecyloxy)-1,4-phenylenebisvinylenebis(1,4-phenylene)]bis[1,1,4,4-tetracyano-2-[4-(dimethylamino)phenyl]-1,3-butadiene]
Thsaurus map：
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