Chem
J-GLOBAL ID：200907027707870724   Nikkaji number：J2.678.440I

1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(1,1′:3′,1′′-terbenzene-4,4′′-diylbismethylene)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′-(1,1′:3′,1′′-テルベンゼン-4,4′′-ジイルビスメチレン)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： C50H38N4[N+]2O
Molecular formula furigana： C50-H38-N6-O
Molecular weight： 738.894
InChI： InChI=1S/C50H38N6O/c1-3-10-47-45(8-1)53-29-35-12-20-39(21-13-35)43-6-5-7-44(28-43)40-22-14-36(15-23-40)30-54-34-56(48-11-4-2-9-46(48)54)32-38-18-26-42(27-19-38)50-52-51-49(57-50)41-24-16-37(17-25-41)31-55(47)33-53/h1-28,33-34H,29-32H2/q+2
InChI key： ZQVCBPYBURLRNN-UHFFFAOYSA-N
SMILES： C1c2ccc(cc2)c2nnc(o2)c2ccc(Cn3c[n+](Cc4ccc(cc4)c4cccc(c4)c4ccc(C[n+]5cn1c1ccccc51)cc4)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′-(1,1′:3′,1′′-テルベンゼン-4,4′′-ジイルビスメチレン)ビス(1H-ベンゾイミダゾール-3-イウム)]
  • 57-オキサ-3,4,11,18λ5,34λ5,41-ヘキサアザウンデカシクロ[41.2.2.26,9.220,23.229,32.12,5.111,18.124,28.134,41.012,17.035,40]ヘプタペンタコンタ-1(45),2,4,6,8,12,14,16,18(54),20,22,24(51),25,27,29,31,34(48),35,37,39,43,46,49,52,55-ペンタコサエン-18,34-ビス(イリウム)
  • 57-oxa-3,4,11,18λ5,34λ5,41-hexaazaundecacyclo[41.2.2.26,9.220,23.229,32.12,5.111,18.124,28.134,41.012,17.035,40]heptapentaconta-1(45),2,4,6,8,12,14,16,18(54),20,22,24(51),25,27,29,31,34(48),35,37,39,43,46,49,52,55-pentacosaene-18,34-bis(ylium)
Other name (1)：
  • 1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(1,1′:3′,1′′-terbenzene-4,4′′-diylbismethylene)bis(1H-benzoimidazole-3-ium)]
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