Chem
J-GLOBAL ID：200907099680421176   Nikkaji number：J2.327.550C

4,4′-(1,4-Phenylene)bis[1-[4-[1-(4-aminophenyl)-1-(trifluoromethyl)-2,2,2-trifluoroethyl]phenyl]-2,6-diphenylpyridinium]

4,4′-(1,4-フェニレン)ビス[1-[4-[1-(4-アミノフェニル)-1-(トリフルオロメチル)-2,2,2-トリフルオロエチル]フェニル]-2,6-ジフェニルピリジニウム]
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： C70H48F12N2[N+]2
Molecular formula furigana： C70-H48-F12-N4
Molecular weight： 1173.162
InChI： InChI=1S/C70H48F12N4/c71-67(72,73)65(68(74,75)76,53-25-33-57(83)34-26-53)55-29-37-59(38-30-55)85-61(47-13-5-1-6-14-47)41-51(42-62(85)48-15-7-2-8-16-48)45-21-23-46(24-22-45)52-43-63(49-17-9-3-10-18-49)86(64(44-52)50-19-11-4-12-20-50)60-39-31-56(32-40-60)66(69(77,78)79,70(80,81)82)54-27-35-58(84)36-28-54/h1-44H,83-84H2/q+2
InChI key： UNNOCGCVEPIVMM-UHFFFAOYSA-N
SMILES： Nc1ccc(cc1)C(c1ccc(cc1)[n+]1c(cc(cc1c1ccccc1)c1ccc(cc1)c1cc(c2ccccc2)[n+](c2ccc(cc2)C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)c(c1)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • 4,4′-(1,4-フェニレン)ビス[1-[4-[1-(4-アミノフェニル)-1-(トリフルオロメチル)-2,2,2-トリフルオロエチル]フェニル]-2,6-ジフェニルピリジニウム]
  • 1-{4-[2-(4-アミノフェニル)-1,1,1,3,3,3-ヘキサフルオロプロパン-2-イル]フェニル}-4-[4-(1-{4-[2-(4-アミノフェニル)-1,1,1,3,3,3-ヘキサフルオロプロパン-2-イル]フェニル}-2,6-ジフェニル-1λ5-ピリジン-1-イリウム-4-イル)フェニル]-2,6-ジフェニル-1λ5-ピリジン-1-イリウム
  • 1-{4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl}-4-[4-(1-{4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl}-2,6-diphenyl-1λ5-pyridin-1-ylium-4-yl)phenyl]-2,6-diphenyl-1λ5-pyridin-1-ylium
Other name (1)：
  • 4,4′-(1,4-Phenylene)bis[1-[4-[1-(4-aminophenyl)-1-(trifluoromethyl)-2,2,2-trifluoroethyl]phenyl]-2,6-diphenylpyridinium]
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