Chem
J-GLOBAL ID：200907090369075259   Nikkaji number：J2.678.442E

1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-[1,3-phenylenebis[carbonyl(1,4-phenylene)methylene]]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[カルボニル(1,4-フェニレン)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： C52H38N4[N+]2O3
Molecular formula furigana： C52-H38-N6-O3
Molecular weight： 794.914
InChI： InChI=1S/C52H38N6O3/c59-49-39-20-12-35(13-21-39)29-55-33-57(47-10-3-1-8-45(47)55)31-37-16-24-41(25-17-37)51-53-54-52(61-51)42-26-18-38(19-27-42)32-58-34-56(46-9-2-4-11-48(46)58)30-36-14-22-40(23-15-36)50(60)44-7-5-6-43(49)28-44/h1-28,33-34H,29-32H2/q+2
InChI key： HCYQVTNHHLOIAZ-UHFFFAOYSA-N
SMILES： O=C1c2ccc(C[n+]3cn(Cc4ccc(cc4)c4nnc(o4)c4ccc(Cn5c[n+](Cc6ccc(cc6)C(=O)c6cccc1c6)c1ccccc51)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′-[1,3-フェニレンビス[カルボニル(1,4-フェニレン)メチレン]]ビス(1H-ベンゾイミダゾール-3-イウム)]
  • 24,30-ジオキソ-59-オキサ-3,4,11,18λ5,36λ5,43-ヘキサアザウンデカシクロ[43.2.2.26,9.220,23.231,34.12,5.111,18.125,29.136,43.012,17.037,42]ノナペンタコンタ-1(47),2,4,6,8,12,14,16,18(56),20,22,25,27,29(53),31,33,36(50),37,39,41,45,48,51,54,57-ペンタコサエン-18,36-ビス(イリウム)
  • 24,30-dioxo-59-oxa-3,4,11,18λ5,36λ5,43-hexaazaundecacyclo[43.2.2.26,9.220,23.231,34.12,5.111,18.125,29.136,43.012,17.037,42]nonapentaconta-1(47),2,4,6,8,12,14,16,18(56),20,22,25,27,29(53),31,33,36(50),37,39,41,45,48,51,54,57-pentacosaene-18,36-bis(ylium)
Other name (1)：
  • 1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-[1,3-phenylenebis[carbonyl(1,4-phenylene)methylene]]bis(1H-benzoimidazole-3-ium)]
Thsaurus map：
Thesaurus Map

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