Chem
J-GLOBAL ID:201307045171509030   Nikkaji number:J3.197.953F

3-(4-Phenyl-1H-1,2,3-triazole-1-yl)-5-piperidino-8-(4-aminophenyl)-4,4-difluoro-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene

3-(4-フェニル-1H-1,2,3-トリアゾール-1-イル)-5-ピペリジノ-8-(4-アミノフェニル)-4,4-ジフルオロ-3a-アゾニア-4-ボラ(IV)-4H-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: C28H26BF2N6[N+]
Molecular formula furigana: C28-H26-B-F2-N7
Molecular weight: 509.370
InChI: InChI=1S/C28H26BF2N7/c30-29(31)37-24(13-15-26(37)35-17-5-2-6-18-35)28(21-9-11-22(32)12-10-21)25-14-16-27(38(25)29)36-19-23(33-34-36)20-7-3-1-4-8-20/h1,3-4,7-16,19H,2,5-6,17-18,32H2/q+1
InChI key: MNOVTEWVRKVHNY-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)C1=C2C=CC(=[N+]2[B](F)(F)n2c(ccc12)N1CCCCC1)n1cc(nn1)c1ccccc1
Systematic name  (3):
  • 3-(4-フェニル-1H-1,2,3-トリアゾール-1-イル)-5-ピペリジノ-8-(4-アミノフェニル)-4,4-ジフルオロ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
  • 8-(4-アミノフェニル)-2,2-ジフルオロ-12-(4-フェニル-1H-1,2,3-トリアゾール-1-イル)-4-(ピペリジン-1-イル)-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-aminophenyl)-2,2-difluoro-12-(4-phenyl-1H-1,2,3-triazol-1-yl)-4-(piperidin-1-yl)-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1):
  • 3-(4-Phenyl-1H-1,2,3-triazole-1-yl)-5-piperidino-8-(4-aminophenyl)-4,4-difluoro-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene
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