Chem
J-GLOBAL ID：201607021349937380   Nikkaji number：J3.516.558D

4,4-Difluoro-2,6-bis(4,5-dimethoxy-2-methylphenyl)-8-mesityl-3a-azonia-4a-aza-4-bora(IV)-s-indacene

4,4-ジフルオロ-2,6-ビス(4,5-ジメトキシ-2-メチルフェニル)-8-メシチル-3a-アゾニア-4a-アザ-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： C36H37BF2N[N+]O4
Molecular formula furigana： C36-H37-B-F2-N2-O4
Molecular weight： 610.510
InChI： InChI=1S/C36H37BF2N2O4/c1-20-10-23(4)35(24(5)11-20)36-29-14-25(27-16-33(44-8)31(42-6)12-21(27)2)18-40(29)37(38,39)41-19-26(15-30(36)41)28-17-34(45-9)32(43-7)13-22(28)3/h10-19H,1-9H3/q+1
InChI key： PDWGFHAKMVNQDO-UHFFFAOYSA-N
SMILES： COc1cc(C)c(cc1OC)C1=CC2=C(c3cc(cn3[B](F)(F)[N+]2=C1)c1cc(OC)c(OC)cc1C)c1c(C)cc(C)cc1C
Systematic name  (3)：
  • 4,4-ジフルオロ-2,6-ビス(4,5-ジメトキシ-2-メチルフェニル)-8-メシチル-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
  • 5,11-ビス(4,5-ジメトキシ-2-メチルフェニル)-2,2-ジフルオロ-8-(2,4,6-トリメチルフェニル)-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
  • 5,11-bis(4,5-dimethoxy-2-methylphenyl)-2,2-difluoro-8-(2,4,6-trimethylphenyl)-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-2,6-bis(4,5-dimethoxy-2-methylphenyl)-8-mesityl-3a-azonia-4a-aza-4-bora(IV)-s-indacene
Thsaurus map：
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