Chem
J-GLOBAL ID：201207011983739250   Nikkaji number：J3.103.532E

1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-[1,3]butadieno-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]bismethylidyne]-3,5-dimethyl-4,4-difluoro-6,7-[1,3]butadieno-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-[1,3]ブタジエノ-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-[1,3]ブタジエノ-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： C32H24B2F4N2[N+]2
Molecular formula furigana： C32-H24-B2-F4-N4
Molecular weight： 562.180
InChI： InChI=1S/C32H24B2F4N4/c1-17-21-9-5-7-11-23(21)29-15-31-27-14-28-26(13-25(27)19(3)41(31)33(35,36)39(17)29)20(4)42-32(28)16-30-24-12-8-6-10-22(24)18(2)40(30)34(42,37)38/h5-16H,1-4H3/q+2
InChI key： HJRVLBCMSAUGAP-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=Cc3n(c(C)c4ccccc34)[B]2(F)F)c2cc3C4=Cc5n(c(C)c6ccccc56)[B](F)(F)[N+]4=C(C)c3cc12
Systematic name  (4)：
  • 1,2,1,2-[[3,5-ジメチル-4,4-ジフルオロ-6,7-[1,3]ブタジエノ-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-[1,3]ブタジエノ-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-[1,3]ブタジエノ-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-[1,3]ブタジエノ-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
  • 15,15,23,23-テトラフルオロ-13,17,21,25-テトラメチル-14,16λ5,22λ5,24-テトラアザ-15λ4,23λ4-ジボラノナシクロ[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.026,31]テトラトリアコンタ-1,3(18),4,6,8,10,12,16,19,21,25,27,29,31,33-ペンタデカエン-16,22-ビス(イリウム)
  • 15,15,23,23-tetrafluoro-13,17,21,25-tetramethyl-14,16λ5,22λ5,24-tetraaza-15λ4,23λ4-diboranonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4,6,8,10,12,16,19,21,25,27,29,31,33-pentadecaene-16,22-bis(ylium)
Other name (2)：
  • 1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-[1,3]butadieno-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]bismethylidyne]-3,5-dimethyl-4,4-difluoro-6,7-[1,3]butadieno-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-[1,3]butadieno-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-2,1-diyl]bismethylidyne]-3,5-dimethyl-4,4-difluoro-6,7-[1,3]butadieno-1,2-dihydro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
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