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)]
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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:
C38 H30 N4 [N+]2 O
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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