Chem
J-GLOBAL ID：201707012806509036   Nikkaji number：J3.627.142F

1,7-Bis(3,5-dimethoxyphenyl)-3,5-bis(4-iodophenyl)-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-ビス(4-ヨードフェニル)-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： C36H28[B-]F2I2N2[N+]O4
Molecular formula furigana： C36-H28-B-F2-I2-N3-O4
Molecular weight： 869.250
InChI： InChI=1S/C36H28BF2I2N3O4/c1-45-27-13-23(14-28(17-27)46-2)31-19-33(21-5-9-25(40)10-6-21)43-35(31)42-36-32(24-15-29(47-3)18-30(16-24)48-4)20-34(44(36)37(43,38)39)22-7-11-26(41)12-8-22/h5-20H,1-4H3
InChI key： HGBSNESNXSRJBG-UHFFFAOYSA-N
SMILES： COc1cc(OC)cc(c1)C1=CC(=[N+]2C1=Nc1c(cc(c3ccc(I)cc3)n1[B-]2(F)F)c1cc(OC)cc(OC)c1)c1ccc(I)cc1
Systematic name  (3)：
  • 1,7-ビス(3,5-ジメトキシフェニル)-3,5-ビス(4-ヨードフェニル)-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-ビス(4-ヨードフェニル)-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-bis(4-iodophenyl)-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-bis(4-iodophenyl)-4,4-difluoro-3a-azonia-4a,8-diaza-4-bora(V)-s-indacene-4-ide
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