Chem
J-GLOBAL ID：200907003070487178   Nikkaji number：J2.694.834G

4,4-Difluoro-8-[3,5-bis(4-aminophenyl)phenyl]-3a-azonia-4a-aza-4-bora(IV)-4H-s-indacene

4,4-ジフルオロ-8-[3,5-ビス(4-アミノフェニル)フェニル]-3a-アゾニア-4a-アザ-4-ボラ(IV)-4H-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： C27H21BF2N3[N+]
Molecular formula furigana： C27-H21-B-F2-N4
Molecular weight： 450.300
InChI： InChI=1S/C27H21BF2N4/c29-28(30)33-13-1-3-25(33)27(26-4-2-14-34(26)28)22-16-20(18-5-9-23(31)10-6-18)15-21(17-22)19-7-11-24(32)12-8-19/h1-17H,31-32H2/q+1
InChI key： KNBJHFJTBWSCIC-UHFFFAOYSA-N
SMILES： Nc1ccc(cc1)c1cc(cc(c1)c1ccc(N)cc1)C1=C2C=CC=[N+]2[B](F)(F)n2cccc12
Systematic name  (3)：
  • 4,4-ジフルオロ-8-[3,5-ビス(4-アミノフェニル)フェニル]-3a-アゾニア-4a-アザ-4-ボラ(IV)-4H-s-インダセン
  • 8-[4'-アミノ-5-(4-アミノフェニル)-[1,1'-ビフェニル]-3-イル]-2,2-ジフルオロ-1λ5,3-ジアザ-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
  • 8-[4'-amino-5-(4-aminophenyl)-[1,1'-biphenyl]-3-yl]-2,2-difluoro-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 4,4-Difluoro-8-[3,5-bis(4-aminophenyl)phenyl]-3a-azonia-4a-aza-4-bora(IV)-4H-s-indacene
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