Chem
J-GLOBAL ID：201707016601960830   Nikkaji number：J3.608.016G

1,3-Bis[4-[4-[4-[[3-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazole-3-ium]-1-yl]-3,5-diisopropylphenyl]-1H-1,2,3-triazole-1-ylmethyl]-2,6-diisopropylphenyl]-4,5-dihydro-1H-imidazole-3-ium

1,3-ビス[4-[4-[4-[[3-(2,6-ジイソプロピルフェニル)-4,5-ジヒドロ-1H-イミダゾール-3-イウム]-1-イル]-3,5-ジイソプロピルフェニル]-1H-1,2,3-トリアゾール-1-イルメチル]-2,6-ジイソプロピルフェニル]-4,5-ジヒドロ-1H-イミダゾール-3-イウム
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： C87H119N9[N+]3
Molecular formula furigana： C87-H119-N12
Molecular weight： 1332.991
InChI： InChI=1S/C87H119N12/c1-52(2)68-27-25-28-69(53(3)4)82(68)92-31-33-96(49-92)86-76(60(17)18)41-66(42-77(86)61(19)20)80-47-98(90-88-80)45-64-37-72(56(9)10)84(73(38-64)57(11)12)94-35-36-95(51-94)85-74(58(13)14)39-65(40-75(85)59(15)16)46-99-48-81(89-91-99)67-43-78(62(21)22)87(79(44-67)63(23)24)97-34-32-93(50-97)83-70(54(5)6)29-26-30-71(83)55(7)8/h25-30,37-44,47-63H,31-36,45-46H2,1-24H3/q+3
InChI key： JWUDUOGZUFNZAD-UHFFFAOYSA-N
SMILES： CC(C)c1cccc(C(C)C)c1[N+]1=CN(CC1)c1c(cc(cc1C(C)C)c1cn(Cc2cc(C(C)C)c(N3CC[N+](=C3)c3c(cc(Cn4cc(nn4)c4cc(C(C)C)c(N5CC[N+](=C5)c5c(cccc5C(C)C)C(C)C)c(c4)C(C)C)cc3C(C)C)C(C)C)c(c2)C(C)C)nn1)C(C)C
Systematic name  (3)：
  • 1,3-ビス[4-[4-[4-[[3-(2,6-ジイソプロピルフェニル)-4,5-ジヒドロ-1H-イミダゾール-3-イウム]-1-イル]-3,5-ジイソプロピルフェニル]-1H-1,2,3-トリアゾール-1-イルメチル]-2,6-ジイソプロピルフェニル]-4,5-ジヒドロ-1H-イミダゾール-3-イウム
  • 1-[2,6-ビス(プロパン-2-イル)フェニル]-3-{4-[1-({4-[1-(4-{[4-(4-{1-[2,6-ビス(プロパン-2-イル)フェニル]-4,5-ジヒドロ-3H-1λ5-イミダゾール-1-イリウム-3-イル}-3,5-ビス(プロパン-2-イル)フェニル)-1H-1,2,3-トリアゾール-1-イル]メチル}-2,6-ビス(プロパン-2-イル)フェニル)-4,5-ジヒドロ-3H-1λ5-イミダゾール-1-イリウム-3-イル]-3,5-ビス(プロパン-2-イル)フェニル}メチル)-1H-1,2,3-トリアゾール-4-イル]-2,6-ビス(プロパン-2-イル)フェニル}-4,5-ジヒドロ-3H-1λ5-イミダゾール-1-イリウム
  • 1-[2,6-bis(propan-2-yl)phenyl]-3-{4-[1-({4-[1-(4-{[4-(4-{1-[2,6-bis(propan-2-yl)phenyl]-4,5-dihydro-3H-1λ5-imidazol-1-ylium-3-yl}-3,5-bis(propan-2-yl)phenyl)-1H-1,2,3-triazol-1-yl]methyl}-2,6-bis(propan-2-yl)phenyl)-4,5-dihydro-3H-1λ5-imidazol-1-ylium-3-yl]-3,5-bis(propan-2-yl)phenyl}methyl)-1H-1,2,3-triazol-4-yl]-2,6-bis(propan-2-yl)phenyl}-4,5-dihydro-3H-1λ5-imidazol-1-ylium
Other name (1)：
  • 1,3-Bis[4-[4-[4-[[3-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazole-3-ium]-1-yl]-3,5-diisopropylphenyl]-1H-1,2,3-triazole-1-ylmethyl]-2,6-diisopropylphenyl]-4,5-dihydro-1H-imidazole-3-ium
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