Chem
J-GLOBAL ID：201407072817091220   Nikkaji number：J3.253.940H

3-(4-Ethynylphenylethynyl)-5-bromo-8-(4-methylphenyl)-4,4-difluoro-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene

3-(4-エチニルフェニルエチニル)-5-ブロモ-8-(4-メチルフェニル)-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： C26H16BBrF2N[N+]
Molecular formula furigana： C26-H16-B-BR-F2-N2
Molecular weight： 485.140
InChI： InChI=1S/C26H16BBrF2N2/c1-3-19-6-8-20(9-7-19)10-13-22-14-15-23-26(21-11-4-18(2)5-12-21)24-16-17-25(28)32(24)27(29,30)31(22)23/h1,4-9,11-12,14-17H,2H3/q+1
InChI key： ZVIJPLZTFXNJMH-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C1=C2C=CC(=[N+]2[B](F)(F)n2c(Br)ccc12)C#Cc1ccc(cc1)C#C
Systematic name  (3)：
  • 3-(4-エチニルフェニルエチニル)-5-ブロモ-8-(4-メチルフェニル)-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
  • 4-ブロモ-12-[2-(4-エチニルフェニル)エチニル]-2,2-ジフルオロ-8-(4-メチルフェニル)-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
  • 4-bromo-12-[2-(4-ethynylphenyl)ethynyl]-2,2-difluoro-8-(4-methylphenyl)-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-Ethynylphenylethynyl)-5-bromo-8-(4-methylphenyl)-4,4-difluoro-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene
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