Chem
J-GLOBAL ID：200907039836500397   Nikkaji number：J2.477.409K

2,3,2′,3′-[1,4-Bis[4-(octyloxy)phenyl]-1,3-butadiene-3,1,2,4-tetrayl]bis[1-cyano-4,4-difluoro-7-tert-butyl-3-aza-4a-azonia-4-bora(V)phenanthrene-4-ide]

2,3,2′,3′-[1,4-ビス[4-(オクチルオキシ)フェニル]-1,3-ブタジエン-3,1,2,4-テトライル]ビス[1-シアノ-4,4-ジフルオロ-7-tert-ブチル-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
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： C64H70[B-]2F4N4[N+]2O2
Molecular formula furigana： C64-H70-B2-F4-N6-O2
Molecular weight： 1052.920
InChI： InChI=1S/C64H70B2F4N6O2/c1-9-11-13-15-17-19-37-77-49-29-21-43(22-30-49)59-57-58(62-52(42-72)56-34-26-45-39-47(63(3,4)5)27-35-53(45)73(56)65(67,68)75(59)62)60(44-23-31-50(32-24-44)78-38-20-18-16-14-12-10-2)76-61(57)51(41-71)55-33-25-46-40-48(64(6,7)8)28-36-54(46)74(55)66(76,69)70/h21-36,39-40H,9-20,37-38H2,1-8H3
InChI key： HEPHVXBWYPDICM-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)c1n2c(=C(C#N)c3ccc4cc(ccc4[n+]3[B-]2(F)F)C(C)(C)C)c2c(c3ccc(OCCCCCCCC)cc3)n3c(=C(C#N)c4ccc5cc(ccc5[n+]4[B-]3(F)F)C(C)(C)C)c12
Systematic name  (4)：
  • 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-ジフルオロ-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]
  • 2,3,2′,3′-[1,4-ビス[4-(オクチルオキシ)フェニル]-1,3-ブタジエン-3,1,2,4-テトライル]ビス[1-シアノ-4,4-ジフルオロ-7-tert-ブチル-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-14,14,30,30-テトラフルオロ-16,32-ビス[4-(オクチルオキシ)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-14,14,30,30-tetrafluoro-16,32-bis[4-(octyloxy)phenyl]-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
Other name (2)：
  • 3,2′,2,3′-[1,4-Bis[4-(octyloxy)phenyl]-1,3-butadiene-1,2,3,4-tetrayl]bis[1-cyano-4,4-difluoro-7-tert-butyl-3,4-dihydro-3-aza-4a-azonia-4-bora(V)-phenanthrene-4-ide]
  • 2,3,2′,3′-[1,4-Bis[4-(octyloxy)phenyl]-1,3-butadiene-3,1,2,4-tetrayl]bis[1-cyano-4,4-difluoro-7-tert-butyl-3-aza-4a-azonia-4-bora(V)phenanthrene-4-ide]
Thsaurus map：
Thesaurus Map

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