Chem
J-GLOBAL ID：200907033967084765
Nikkaji number：J2.477.410D
3,2′,2,3′-[1,4-Bis[4-(octyloxy)phenyl]-1,3-butadiene-1,2,3,4-tetrayl]bis[1-cyano-4,4-diphenyl-7-tert-butyl-3,4-dihydro-3-aza-4a-azonia-4-bora(V)-phenanthrene-4-ide]
3,2′,2,3′-[1,4-ビス[4-(オクチルオキシ)フェニル]-1,3-ブタジエン-1,2,3,4-テトライル]ビス[1-シアノ-4,4-ジフェニル-7-tert-ブチル-3,4-ジヒドロ-3-アザ-4a-アゾニア-4-ボラ(V)-フェナントレン-4-イド]
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
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
Molecular formula： C88H90[B-]2N4[N+]2O2
Molecular formula furigana： C88-H90-B2-N6-O2
Molecular weight： 1285.350
InChI：
InChI=1S/C88H90B2N6O2/c1-9-11-13-15-17-31-57-97-73-49-41-63(42-50-73)83-81-82(86-76(62-92)80-54-46-65-59-67(87(3,4)5)47-55-77(65)93(80)89(95(83)86,69-33-23-19-24-34-69)70-35-25-20-26-36-70)84(64-43-51-74(52-44-64)98-58-32-18-16-14-12-10-2)96-85(81)75(61-91)79-53-45-66-60-68(88(6,7)8)48-56-78(66)94(79)90(96,71-37-27-21-28-38-71)72-39-29-22-30-40-72/h19-30,33-56,59-60H,9-18,31-32,57-58H2,1-8H3
InChI key：
RYGASFHFNVGNFZ-UHFFFAOYSA-N
SMILES：
CCCCCCCCOc1ccc(cc1)c1n2c(=C(C#N)c3ccc4cc(ccc4[n+]3[B-]2(c2ccccc2)c2ccccc2)C(C)(C)C)c2c(c3ccc(OCCCCCCCC)cc3)n3c(=C(C#N)c4ccc5cc(ccc5[n+]4[B-]3(c3ccccc3)c3ccccc3)C(C)(C)C)c12
Systematic name (3)：
- 3,2′,2,3′-[1,4-ビス[4-(オクチルオキシ)フェニル]-1,3-ブタジエン-1,2,3,4-テトライル]ビス[1-シアノ-4,4-ジフェニル-7-tert-ブチル-3,4-ジヒドロ-3-アザ-4a-アゾニア-4-ボラ(V)-フェナントレン-4-イド]
- 9,25-ジ-tert-ブチル-3,19-ジシアノ-16,32-ビス[4-(オクチルオキシ)フェニル]-14,14,30,30-テトラフェニル-13λ5,15,29λ5,31-テトラアザ-14,30-ジボラオクタシクロ[15.15.0.02,15.04,13.07,12.018,31.020,29.023,28]ドトリアコンタ-1(32),2,4,6,8,10,12,16,18,20,22,24,26,28-テトラデカエン-13,29-ビス(イリウム)-14,30-ジウイド
- 9,25-di-tert-butyl-3,19-dicyano-16,32-bis[4-(octyloxy)phenyl]-14,14,30,30-tetraphenyl-13λ5,15,29λ5,31-tetraaza-14,30-diboraoctacyclo[15.15.0.02,15.04,13.07,12.018,31.020,29.023,28]dotriaconta-1(32),2,4,6,8,10,12,16,18,20,22,24,26,28-tetradecaene-13,29-bis(ylium)-14,30-diuide
- 3,2′,2,3′-[1,4-Bis[4-(octyloxy)phenyl]-1,3-butadiene-1,2,3,4-tetrayl]bis[1-cyano-4,4-diphenyl-7-tert-butyl-3,4-dihydro-3-aza-4a-azonia-4-bora(V)-phenanthrene-4-ide]
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