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)]
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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:
C50 H38 N4 [N+]2 O
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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