Chem
J-GLOBAL ID：200907032855145072   Nikkaji number：J239.196A

3,3′-(3,3′-Dimethoxy-4,4′-biphenylylene)bis[2-(p-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium]

3,3′-(3,3′-ジメトキシ-4,4′-ビフェニリレン)ビス[2-(p-ニトロフェニル)-5-フェニル-2H-テトラゾール-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： C40H30N6[N+]4O4[O-]2
Molecular formula furigana： C40-H30-N10-O6
Molecular weight： 746.743
InChI： InChI=1S/C40H30N10O6/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54/h3-26H,1-2H3/q+2
InChI key： JPXMTWWFLBLUCD-UHFFFAOYSA-N
SMILES： COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(OC)c1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Systematic name  (7)：
  • 3,3′-(3,3′-ジメトキシビフェニル-4,4′-ジイル)ビス[2-(4-ニトロフェニル)-5-フェニル-3H-テトラゾール-3-イウム]
  • 2,2′-ジ(4-ニトロフェニル)-5,5′-ジフェニル[3,3′-(3,3′-ジメトキシビフェニル-4,4′-ジイル)ビス(2H-テトラゾール-3-イウム)]
  • 3,3′-(3,3′-ジメトキシ-4,4′-ビフェニリレン)ビス[2-(p-ニトロフェニル)-5-フェニル-2H-テトラゾール-3-イウム]
  • 3,3′-(3,3′-ジメトキシビフェニル-4,4′-ジイル)ビス[2-(4-ニトロフェニル)-5-フェニル-2H-テトラゾール-3-イウム]
  • 3,3′-(3,3′-ジメトキシ-1,1′-ビフェニル-4,4′-ジイル)ビス[2-(4-ニトロフェニル)-5-フェニル-2H-テトラゾール-3-イウム]
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Other name (4)：
  • 3,3′-(3,3′-Dimethoxy-4,4′-biphenylylene)bis[2-(p-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium]
  • 2,2′-Di(4-nitrophenyl)-5,5′-diphenyl[3,3′-(3,3′-dimethoxybiphenyl-4,4′-diyl)bis(2H-tetrazol-3-ium)]
  • 3,3′-(3,3′-Dimethoxybiphenyl-4,4′-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazole-3-ium]
  • 3,3′-(3,3′-Dimethoxy-1,1′-biphenyl-4,4′-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazole-3-ium]
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