Chem
J-GLOBAL ID：200907053194096409   Nikkaji number：J2.678.438G

1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-(pyridine-2,6-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′-(ピリジン-2,6-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： C37H29N5[N+]2O
Molecular formula furigana： C37-H29-N7-O
Molecular weight： 587.686
InChI： InChI=1S/C37H29N7O/c1-3-10-34-32(8-1)41-20-26-12-16-28(17-13-26)36-39-40-37(45-36)29-18-14-27(15-19-29)21-42-25-44(35-11-4-2-9-33(35)42)23-31-7-5-6-30(38-31)22-43(34)24-41/h1-19,24-25H,20-23H2/q+2
InChI key： ZITBWZBATURRII-UHFFFAOYSA-N
SMILES： C1c2ccc(cc2)c2nnc(o2)c2ccc(Cn3c[n+](Cc4cccc(C[n+]5cn1c1ccccc51)n4)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′-(ピリジン-2,6-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)]
  • 45-オキサ-3,4,11,18λ5,26λ5,33,41-ヘプタアザノナシクロ[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-3,4,11,18λ5,26λ5,33,41-heptaazanonacyclo[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′-(pyridine-2,6-diylbismethylene)bis(1H-benzoimidazole-3-ium)]
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