Chem
J-GLOBAL ID：200907080902182598   Nikkaji number：J2.617.109A

1,3,5-Tri(4-methylphenyl)-2,4-bis[4-(3-pyridinyl)phenyl]-6-[4-(1-methylpyridinium-3-yl)phenyl]benzene

1,3,5-トリ(4-メチルフェニル)-2,4-ビス[4-(3-ピリジニル)フェニル]-6-[4-(1-メチルピリジニウム-3-イル)フェニル]ベンゼン
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： C61H48N2[N+]
Molecular formula furigana： C61-H48-N3
Molecular weight： 823.075
InChI： InChI=1S/C61H48N3/c1-41-11-17-47(18-12-41)56-59(50-29-23-44(24-30-50)53-8-5-35-62-38-53)57(48-19-13-42(2)14-20-48)61(52-33-27-46(28-34-52)55-10-7-37-64(4)40-55)58(49-21-15-43(3)16-22-49)60(56)51-31-25-45(26-32-51)54-9-6-36-63-39-54/h5-40H,1-4H3/q+1
InChI key： OBMVHPJIHIPYOS-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)c1c(c2ccc(cc2)c2cccnc2)c(c2ccc(C)cc2)c(c2ccc(cc2)c2ccc[n+](C)c2)c(c2ccc(C)cc2)c1c1ccc(cc1)c1cccnc1
Systematic name  (4)：
  • 4-(1-メチルピリジニウム-3-イル)-2′,6′-ビス(4-メチルフェニル)-3′,5′-ビス[4-(3-ピリジル)フェニル]-4′′-メチル-1,1′:4′,1′′-テルベンゼン
  • 1,3,5-トリ(4-メチルフェニル)-2,4-ビス[4-(3-ピリジニル)フェニル]-6-[4-(1-メチルピリジニウム-3-イル)フェニル]ベンゼン
  • 1-メチル-3-{4-[2,4,6-トリス(4-メチルフェニル)-4'-(ピリジン-3-イル)-5-[4-(ピリジン-3-イル)フェニル]-[1,1'-ビフェニル]-3-イル]フェニル}ピリジン-1-イウム
  • 1-methyl-3-{4-[2,4,6-tris(4-methylphenyl)-4'-(pyridin-3-yl)-5-[4-(pyridin-3-yl)phenyl]-[1,1'-biphenyl]-3-yl]phenyl}pyridin-1-ium
Other name (2)：
  • 4-(1-Methylpyridinium-3-yl)-2′,6′-bis(4-methylphenyl)-3′,5′-bis[4-(3-pyridyl)phenyl]-4′′-methyl-1,1′:4′,1′′-terbenzene
  • 1,3,5-Tri(4-methylphenyl)-2,4-bis[4-(3-pyridinyl)phenyl]-6-[4-(1-methylpyridinium-3-yl)phenyl]benzene
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