Chem
J-GLOBAL ID:200907030406627990
Nikkaji number:J2.678.443C
1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-[1,3,4-oxadiazole-2,5-diylbis[(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′-[1,3,4-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]]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:
C46 H34 N6 [N+]2 O2
Molecular formula furigana:
C46-H34-N8-O2
Molecular weight:
730.831
InChI:
InChI=1S/C46H34N8O2/c1-2-6-40-39(5-1)51-25-31-9-17-35(18-10-31)43-47-49-45(55-43)37-21-13-33(14-22-37)27-53-30-54(42-8-4-3-7-41(42)53)28-34-15-23-38(24-16-34)46-50-48-44(56-46)36-19-11-32(12-20-36)26-52(40)29-51/h1-24,29-30H,25-28H2/q+2
InChI key:
SJONHFXGCQYBOB-UHFFFAOYSA-N
SMILES:
C1c2ccc(cc2)c2nnc(o2)c2ccc(Cn3c[n+](Cc4ccc(cc4)c4nnc(o4)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′-[1,3,4-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]]ビス(1H-ベンゾイミダゾール-3-イウム)]
50,56-ジオキサ-3,4,11λ5, 18,25,26,33,40λ5 -オクタアザウンデカシクロ[40.2.2.26,9 .220,23 .228,31 .12,5 .111,18 .124,27 .133,40 .012,17 .034,39 ]ヘキサペンタコンタ-1(44),2,4,6,8,11(53),12,14,16,20,22,24,26,28,30,34,36,38,40(47),42,45,48,51,54-テトラコサエン-11,40-ビス(イリウム)
50,56-dioxa-3,4,11λ5, 18,25,26,33,40λ5 -octaazaundecacyclo[40.2.2.26,9 .220,23 .228,31 .12,5 .111,18 .124,27 .133,40 .012,17 .034,39 ]hexapentaconta-1(44),2,4,6,8,11(53),12,14,16,20,22,24,26,28,30,34,36,38,40(47),42,45,48,51,54-tetracosaene-11,40-bis(ylium)
Other name (1):
1,1′-[1,3,4-Oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]][3,3′-[1,3,4-oxadiazole-2,5-diylbis[(1,4-phenylene)methylene]]bis(1H-benzoimidazole-3-ium)]
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