Chem
J-GLOBAL ID:201707004211665546   Nikkaji number:J3.627.145K

1,7-Bis(3,5-dimethoxy-2-iodophenyl)-3,5-bis(4-iodophenyl)-2,6-diiodo-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-2-ヨードフェニル)-3,5-ビス(4-ヨードフェニル)-2,6-ジヨード-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: C36H24[B-]F2I6N2[N+]O4
Molecular formula furigana: C36-H24-B-F2-I6-N3-O4
Molecular weight: 1372.840
InChI: InChI=1S/C36H24BF2I6N3O4/c1-49-21-13-23(29(42)25(15-21)51-3)27-31(44)33(17-5-9-19(40)10-6-17)47-35(27)46-36-28(24-14-22(50-2)16-26(52-4)30(24)43)32(45)34(48(36)37(47,38)39)18-7-11-20(41)12-8-18/h5-16H,1-4H3
InChI key: XCTWQKZUZJVQBB-UHFFFAOYSA-N
SMILES: COc1cc(OC)c(I)c(c1)C1=C(I)C(=[N+]2C1=Nc1c(c(I)c(c3ccc(I)cc3)n1[B-]2(F)F)c1cc(OC)cc(OC)c1I)c1ccc(I)cc1
Systematic name  (3):
  • 1,7-ビス(3,5-ジメトキシ-2-ヨードフェニル)-3,5-ビス(4-ヨードフェニル)-2,6-ジヨード-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
  • 2,2-ジフルオロ-5,11-ジヨード-6,10-ビス(2-ヨード-3,5-ジメトキシフェニル)-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
  • 2,2-difluoro-5,11-diiodo-6,10-bis(2-iodo-3,5-dimethoxyphenyl)-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-dimethoxy-2-iodophenyl)-3,5-bis(4-iodophenyl)-2,6-diiodo-4,4-difluoro-3a-azonia-4a,8-diaza-4-bora(V)-s-indacene-4-ide
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