Chem
J-GLOBAL ID:201407069086967820   Nikkaji number:J3.317.041F

4,4′-[(3,8-Dibutylpyrene-1,6-diyl)bisvinylene]bis(1-methylpyridinium)

4,4′-[(3,8-ジブチルピレン-1,6-ジイル)ビスビニレン]ビス(1-メチルピリジニウム)
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: C40H42[N+]2
Molecular formula furigana: C40-H42-N2
Molecular weight: 550.789
InChI: InChI=1S/C40H42N2/c1-5-7-9-31-27-33(13-11-29-19-23-41(3)24-20-29)37-18-16-36-32(10-8-6-2)28-34(14-12-30-21-25-42(4)26-22-30)38-17-15-35(31)39(37)40(36)38/h11-28H,5-10H2,1-4H3/q+2
InChI key: ZIMZYXAJISPNAM-UHFFFAOYSA-N
SMILES: CCCCc1cc(C=Cc2cc[n+](C)cc2)c2ccc3c(CCCC)cc(C=Cc4cc[n+](C)cc4)c4ccc1c2c34
Systematic name  (4):
  • 4,4′-[3,8-ジブチルピレン-1,6-ジイルビス(2,1-エテンジイル)]ビス(1-メチルピリジニウム)
  • 4,4′-[(3,8-ジブチルピレン-1,6-ジイル)ビスビニレン]ビス(1-メチルピリジニウム)
  • 4-(2-{3,8-ジブチル-6-[2-(1-メチルピリジン-1-イウム-4-イル)エテニル]ピレン-1-イル}エテニル)-1-メチルピリジン-1-イウム
  • 4-(2-{3,8-dibutyl-6-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]pyren-1-yl}ethenyl)-1-methylpyridin-1-ium
Other name (2):
  • 4,4′-[3,8-Dibutylpyrene-1,6-diylbis(2,1-ethenediyl)]bis(1-methylpyridinium)
  • 4,4′-[(3,8-Dibutylpyrene-1,6-diyl)bisvinylene]bis(1-methylpyridinium)
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