Chem
J-GLOBAL ID：201207045833303081   Nikkaji number：J3.103.530I

1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-[1,3]butadieno-8-(4-tert-butylphenyl)-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-8-(4-tert-butylphenyl)-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-8-(4-tert-ブチルフェニル)-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-[1,3]ブタジエノ-8-(4-tert-ブチルフェニル)-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： C52H48B2F4N2[N+]2
Molecular formula furigana： C52-H48-B2-F4-N4
Molecular weight： 826.600
InChI： InChI=1S/C52H48B2F4N4/c1-29-37-15-11-13-17-39(37)47-45(33-19-23-35(24-20-33)51(5,6)7)49-43-28-44-42(27-41(43)31(3)61(49)53(55,56)59(29)47)32(4)62-50(44)46(34-21-25-36(26-22-34)52(8,9)10)48-40-18-14-12-16-38(40)30(2)60(48)54(62,57)58/h11-28H,1-10H3/q+2
InChI key： RKIVEOCSUMRBSO-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=C(c3n(c(C)c4ccccc34)[B]2(F)F)c2ccc(cc2)C(C)(C)C)c2cc3C4=C(c5n(c(C)c6ccccc56)[B](F)(F)[N+]4=C(C)c3cc12)c1ccc(cc1)C(C)(C)C
Systematic name  (3)：
  • 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-8-(4-tert-ブチルフェニル)-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-[1,3]ブタジエノ-8-(4-tert-ブチルフェニル)-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
  • 5,33-ビス(4-tert-ブチルフェニル)-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)
  • 5,33-bis(4-tert-butylphenyl)-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 (1)：
  • 1,2,1,2-[[3,5-Dimethyl-4,4-difluoro-6,7-[1,3]butadieno-8-(4-tert-butylphenyl)-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-8-(4-tert-butylphenyl)-1,2-dihydro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
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