Chem
J-GLOBAL ID:200907048353027738   Nikkaji number:J1.945.342A

1-(4-Chlorophenylamino)-2-(4-bromophenyl)-3-(4-fluorophenyl)-8H-3a-azonia-8,8a-diazacyclopenta[a]indene-8-ide

1-(4-クロロフェニルアミノ)-2-(4-ブロモフェニル)-3-(4-フルオロフェニル)-8H-3a-アゾニア-8,8a-ジアザシクロペンタ[a]インデン-8-イド
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: C27H17BrClFN2[N-][N+]
Molecular formula furigana: C27-H17-BR-CL-F-N4
Molecular weight: 531.810
InChI: InChI=1S/C27H16BrClFN4/c28-19-9-5-17(6-10-19)25-26(18-7-13-21(30)14-8-18)33-24-4-2-1-3-23(24)32-34(33)27(25)31-22-15-11-20(29)12-16-22/h1-16H/q-1/p+1
InChI key: QAOBMMSNAUBRNN-UHFFFAOYSA-O
SMILES: Fc1ccc(cc1)c1c(c(Nc2ccc(Cl)cc2)n2[n-]c3ccccc3[n+]12)c1ccc(Br)cc1
Systematic name  (3):
  • 1-(4-クロロフェニルアミノ)-2-(4-ブロモフェニル)-3-(4-フルオロフェニル)-8H-3a-アゾニア-8,8a-ジアザシクロペンタ[a]インデン-8-イド
  • 4-(4-ブロモフェニル)-5-[(4-クロロフェニル)アミノ]-3-(4-フルオロフェニル)-2λ5,6,7-トリアザトリシクロ[6.4.0.02,6]ドデカ-1(12),2,4,8,10-ペンタエン-2-イリウム-7-イド
  • 4-(4-bromophenyl)-5-[(4-chlorophenyl)amino]-3-(4-fluorophenyl)-2λ5,6,7-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-2-ylium-7-ide
Other name (1):
  • 1-(4-Chlorophenylamino)-2-(4-bromophenyl)-3-(4-fluorophenyl)-8H-3a-azonia-8,8a-diazacyclopenta[a]indene-8-ide
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