Chem
J-GLOBAL ID：200907020711118722   Nikkaji number：J2.678.435B

1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(1,3-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′-(1,3-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/c1-3-10-35-33(8-1)41-21-27-12-16-31(17-13-27)37-39-40-38(45-37)32-18-14-28(15-19-32)22-42-26-44(36-11-4-2-9-34(36)42)24-30-7-5-6-29(20-30)23-43(35)25-41/h1-20,25-26H,21-24H2/q+2
InChI key： JIVQMGXTXOXDCH-UHFFFAOYSA-N
SMILES： C1c2ccc(cc2)c2nnc(o2)c2ccc(Cn3c[n+](Cc4cccc(C[n+]5cn1c1ccccc51)c4)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′-(1,3-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-3,4,11,18λ5,26λ5,33-ヘキサアザノナシクロ[33.2.2.26,9.12,5.111,18.120,24.126,33.012,17.027,32]ペンタテトラコンタ-1(37),2,4,6,8,12,14,16,18(42),20(41),21,23,26(40),27,29,31,35,38,43-ノナデカエン-18,26-ビス(イリウム)
  • 45-oxa-3,4,11,18λ5,26λ5,33-hexaazanonacyclo[33.2.2.26,9.12,5.111,18.120,24.126,33.012,17.027,32]pentatetraconta-1(37),2,4,6,8,12,14,16,18(42),20(41),21,23,26(40),27,29,31,35,38,43-nonadecaene-18,26-bis(ylium)
Other name (1)：
  • 1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(1,3-phenylenebismethylene)bis(1H-benzoimidazole-3-ium)]
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