Chem
J-GLOBAL ID：200907003675894956   Nikkaji number：J2.678.439E

1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(1,2-phenylenebismethylene)bis(1H-benzoimidazole-3-ium)]

1,1′-[1,3,4-オキサジアゾール-2,5-ジイルビス[(1,4-フェニレン)メチレン]][3,3′-(1,2-フェニレンビスメチレン)ビス(1H-ベンゾイミダゾール-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： C38H30N4[N+]2O
Molecular formula furigana： C38-H30-N6-O
Molecular weight： 586.698
InChI： InChI=1S/C38H30N6O/c1-2-8-32-24-44-26-42(34-10-4-6-12-36(34)44)22-28-15-19-30(20-16-28)38-40-39-37(45-38)29-17-13-27(14-18-29)21-41-25-43(23-31(32)7-1)35-11-5-3-9-33(35)41/h1-20,25-26H,21-24H2/q+2
InChI key： FFRNPITZLWHEHY-UHFFFAOYSA-N
SMILES： C1c2ccc(cc2)c2nnc(o2)c2ccc(Cn3c[n+](Cc4ccccc4C[n+]4cn1c1ccccc41)c1ccccc31)cc2
Systematic name  (3)：
  • 1,1′-[1,3,4-オキサジアゾール-2,5-ジイルビス[(1,4-フェニレン)メチレン]][3,3′-(1,2-フェニレンビスメチレン)ビス(1H-ベンゾイミダゾール-3-イウム)]
  • 45-オキサ-3,4,11,18λ5,27λ5,34-ヘキサアザノナシクロ[34.2.2.26,9.12,5.111,18.127,34.012,17.020,25.028,33]ペンタテトラコンタ-1(38),2,4,6,8,12,14,16,18(42),20,22,24,27(41),28,30,32,36,39,43-ノナデカエン-18,27-ビス(イリウム)
  • 45-oxa-3,4,11,18λ5,27λ5,34-hexaazanonacyclo[34.2.2.26,9.12,5.111,18.127,34.012,17.020,25.028,33]pentatetraconta-1(38),2,4,6,8,12,14,16,18(42),20,22,24,27(41),28,30,32,36,39,43-nonadecaene-18,27-bis(ylium)
Other name (1)：
  • 1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(1,2-phenylenebismethylene)bis(1H-benzoimidazole-3-ium)]
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