Chem
J-GLOBAL ID：200907065728297969   Nikkaji number：J1.502.763K

3,5-Diphenyl-8-[4-[(11-hydroxy-11-oxoundecyl)oxy]-2,6-dimethylphenyl]-4,4-difluoro-4-bora(V)-3a-azonia-4a-aza-s-indacene-4-ide

3,5-ジフェニル-8-[4-[(11-ヒドロキシ-11-オキソウンデシル)オキシ]-2,6-ジメチルフェニル]-4,4-ジフルオロ-4-ボラ(V)-3a-アゾニア-4a-アザ-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： C40H43[B-]F2N[N+]O3
Molecular formula furigana： C40-H43-B-F2-N2-O3
Molecular weight： 648.600
InChI： InChI=1S/C40H43BF2N2O3/c1-29-27-33(48-26-16-8-6-4-3-5-7-15-21-38(46)47)28-30(2)39(29)40-36-24-22-34(31-17-11-9-12-18-31)44(36)41(42,43)45-35(23-25-37(40)45)32-19-13-10-14-20-32/h9-14,17-20,22-25,27-28H,3-8,15-16,21,26H2,1-2H3,(H,46,47)
InChI key： QZSJMIPIDCNUDN-UHFFFAOYSA-N
SMILES： Cc1cc(OCCCCCCCCCCC(=O)O)cc(C)c1C1=C2C=CC(=[N+]2[B-](F)(F)n2c1ccc2c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 3,5-ジフェニル-8-[4-[(11-ヒドロキシ-11-オキソウンデシル)オキシ]-2,6-ジメチルフェニル]-4,4-ジフルオロ-4-ボラ(V)-3a-アゾニア-4a-アザ-s-インダセン-4-イド
  • 8-{4-[(10-カルボキシデシル)オキシ]-2,6-ジメチルフェニル}-2,2-ジフルオロ-4,12-ジフェニル-1λ5,3-ジアザ-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
  • 8-{4-[(10-carboxydecyl)oxy]-2,6-dimethylphenyl}-2,2-difluoro-4,12-diphenyl-1λ5,3-diaza-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
Other name (1)：
  • 3,5-Diphenyl-8-[4-[(11-hydroxy-11-oxoundecyl)oxy]-2,6-dimethylphenyl]-4,4-difluoro-4-bora(V)-3a-azonia-4a-aza-s-indacene-4-ide
Thsaurus map：
Thesaurus Map

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