Chem
J-GLOBAL ID：201707016592826956   Nikkaji number：J3.627.143D

1,7-Bis(3,5-dimethoxyphenyl)-3,5-diphenyl-4,4-difluoro-3a-azonia-4a,8-diaza-4-bora(V)-s-indacene-4-ide

1,7-ビス(3,5-ジメトキシフェニル)-3,5-ジフェニル-4,4-ジフルオロ-3a-アゾニア-4a,8-ジアザ-4-ボラ(V)-s-インダセン-4-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： C36H30[B-]F2N2[N+]O4
Molecular formula furigana： C36-H30-B-F2-N3-O4
Molecular weight： 617.460
InChI： InChI=1S/C36H30BF2N3O4/c1-43-27-15-25(16-28(19-27)44-2)31-21-33(23-11-7-5-8-12-23)41-35(31)40-36-32(26-17-29(45-3)20-30(18-26)46-4)22-34(42(36)37(41,38)39)24-13-9-6-10-14-24/h5-22H,1-4H3
InChI key： VATHXSYBXLTSOM-UHFFFAOYSA-N
SMILES： COc1cc(OC)cc(c1)C1=CC(=[N+]2C1=Nc1c(cc(c3ccccc3)n1[B-]2(F)F)c1cc(OC)cc(OC)c1)c1ccccc1
Systematic name  (3)：
  • 1,7-ビス(3,5-ジメトキシフェニル)-3,5-ジフェニル-4,4-ジフルオロ-3a-アゾニア-4a,8-ジアザ-4-ボラ(V)-s-インダセン-4-イド
  • 6,10-ビス(3,5-ジメトキシフェニル)-2,2-ジフルオロ-4,12-ジフェニル-1λ5,3,8-トリアザ-2-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-2-ウイド
  • 6,10-bis(3,5-dimethoxyphenyl)-2,2-difluoro-4,12-diphenyl-1λ5,3,8-triaza-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
Other name (1)：
  • 1,7-Bis(3,5-dimethoxyphenyl)-3,5-diphenyl-4,4-difluoro-3a-azonia-4a,8-diaza-4-bora(V)-s-indacene-4-ide
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