Chem
J-GLOBAL ID：201207063100527593   Nikkaji number：J3.103.531G

1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]bismethylidyne]-3,5-dimethyl-4,4-difluoro-6,7-diethyl-1,2-dihydro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene

1,2,1,2-[[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-1,2-ジイル]ビスメチリジン]-3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-1,2-ジヒドロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
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： C32H36B2F4N2[N+]2
Molecular formula furigana： C32-H36-B2-F4-N4
Molecular weight： 574.280
InChI： InChI=1S/C32H36B2F4N4/c1-9-21-17(5)39-29(23(21)11-3)15-31-27-14-28-26(13-25(27)19(7)41(31)33(39,35)36)20(8)42-32(28)16-30-24(12-4)22(10-2)18(6)40(30)34(42,37)38/h13-16H,9-12H2,1-8H3/q+2
InChI key： NKJLVFTVTGDEAY-UHFFFAOYSA-N
SMILES： CCc1c(C)n2c(C=C3c4cc5C6=Cc7c(CC)c(CC)c(C)n7[B](F)(F)[N+]6=C(C)c5cc4C(=[N+]3[B]2(F)F)C)c1CC
Systematic name  (4)：
  • 1,2,1,2-[[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-1,2-ジイル]ビスメチリジン]-3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-1,2-ジヒドロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
  • 1,2,1,2-[[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-2,1-ジイル]ビスメチリジン]-3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-1,2-ジヒドロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
  • 7,8,22,23-テトラエチル-11,11,19,19-テトラフルオロ-9,13,17,21-テトラメチル-10,12λ5,18λ5,20-テトラアザ-11λ4,19λ4-ジボラヘプタシクロ[14.10.0.03,14.04,12.06,10.018,26.020,24]ヘキサコサ-1,3(14),4,6,8,12,15,17,21,23,25-ウンデカエン-12,18-ビス(イリウム)
  • 7,8,22,23-tetraethyl-11,11,19,19-tetrafluoro-9,13,17,21-tetramethyl-10,12λ5,18λ5,20-tetraaza-11λ4,19λ4-diboraheptacyclo[14.10.0.03,14.04,12.06,10.018,26.020,24]hexacosa-1,3(14),4,6,8,12,15,17,21,23,25-undecaene-12,18-bis(ylium)
Other name (2)：
  • 1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]bismethylidyne]-3,5-dimethyl-4,4-difluoro-6,7-diethyl-1,2-dihydro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
  • 1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-2,1-diyl]bismethylidyne]-3,5-dimethyl-4,4-difluoro-6,7-diethyl-1,2-dihydro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
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