Chem
J-GLOBAL ID：201207014666556662   Nikkaji number：J3.028.966H

1,2,1,2-[1,2-Diethyl-3,5-dimethyl-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-6,7-diylbismethylidyne]-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-[1,2-ジエチル-3,5-ジメチル-4,4-ジフルオロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-6,7-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)15-31-27-13-26-20(8)42-32(28(26)14-25(27)19(7)41(31)33(39,35)36)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： CPEOIJZXIQAHEW-UHFFFAOYSA-N
SMILES： CCC1=C(CC)C2=Cc3n(c(C)c4cc5C6=Cc7c(CC)c(CC)c(C)n7[B](F)(F)[N+]6=C(C)c5cc34)[B](F)(F)[N+]2=C1C
Systematic name  (3)：
  • 1,2,1,2-[1,2-ジエチル-3,5-ジメチル-4,4-ジフルオロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-6,7-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
  • 7,8,20,21-テトラエチル-11,11,24,24-テトラフルオロ-9,13,22,26-テトラメチル-10λ5,12,23,25λ5-テトラアザ-11λ4,24λ4-ジボラヘプタシクロ[14.10.0.03,14.04,12.06,10.017,25.019,23]ヘキサコサ-1,3,5,7,9,13,15,17,19,21,25-ウンデカエン-10,25-ビス(イリウム)
  • 7,8,20,21-tetraethyl-11,11,24,24-tetrafluoro-9,13,22,26-tetramethyl-10λ5,12,23,25λ5-tetraaza-11λ4,24λ4-diboraheptacyclo[14.10.0.03,14.04,12.06,10.017,25.019,23]hexacosa-1,3,5,7,9,13,15,17,19,21,25-undecaene-10,25-bis(ylium)
Other name (1)：
  • 1,2,1,2-[1,2-Diethyl-3,5-dimethyl-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-6,7-diylbismethylidyne]-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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