Chem
J-GLOBAL ID：201807009387966053   Nikkaji number：J3.674.582G

4,4-Difluoro-2,6-bis(1H-indole-3-yl)-1,3,5,7-tetraphenyl-3a,8-diaza-4a-azonia-4-bora(IV)-s-indacene

4,4-ジフルオロ-2,6-ビス(1H-インドール-3-イル)-1,3,5,7-テトラフェニル-3a,8-ジアザ-4a-アゾニア-4-ボラ(IV)-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： C48H32BF2N4[N+]
Molecular formula furigana： C48-H32-B-F2-N5
Molecular weight： 727.630
InChI： InChI=1S/C48H32BF2N5/c50-49(51)55-45(33-21-9-3-10-22-33)43(37-29-52-39-27-15-13-25-35(37)39)41(31-17-5-1-6-18-31)47(55)54-48-42(32-19-7-2-8-20-32)44(38-30-53-40-28-16-14-26-36(38)40)46(56(48)49)34-23-11-4-12-24-34/h1-30,52-53H/q+1
InChI key： OMMXRDMCWYQWFK-UHFFFAOYSA-N
SMILES： F[B]1(F)n2c(N=C3C(=C(C(=[N+]13)c1ccccc1)c1c[nH]c3ccccc13)c1ccccc1)c(c(c1c[nH]c3ccccc13)c2c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 4,4-ジフルオロ-2,6-ビス(1H-インドール-3-イル)-1,3,5,7-テトラフェニル-3a,8-ジアザ-4a-アゾニア-4-ボラ(IV)-s-インダセン
  • 2,2-ジフルオロ-5,11-ビス(1H-インドール-3-イル)-4,6,10,12-テトラフェニル-1λ5,3,8-トリアザ-2λ4-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム
  • 2,2-difluoro-5,11-bis(1H-indol-3-yl)-4,6,10,12-tetraphenyl-1λ5,3,8-triaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 4,4-Difluoro-2,6-bis(1H-indole-3-yl)-1,3,5,7-tetraphenyl-3a,8-diaza-4a-azonia-4-bora(IV)-s-indacene
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