Chem
J-GLOBAL ID：200907003718424681   Nikkaji number：J1.502.764I

3,5-Bis(4-methoxyphenyl)-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-ビス(4-メトキシフェニル)-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： C42H47[B-]F2N[N+]O5
Molecular formula furigana： C42-H47-B-F2-N2-O5
Molecular weight： 708.650
InChI： InChI=1S/C42H47BF2N2O5/c1-29-27-35(52-26-12-10-8-6-5-7-9-11-13-40(48)49)28-30(2)41(29)42-38-24-22-36(31-14-18-33(50-3)19-15-31)46(38)43(44,45)47-37(23-25-39(42)47)32-16-20-34(51-4)21-17-32/h14-25,27-28H,5-13,26H2,1-4H3,(H,48,49)
InChI key： BIDCRDJBGYCZJI-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C1=[N+]2C(=C(c3ccc(c4ccc(OC)cc4)n3[B-]2(F)F)c2c(C)cc(OCCCCCCCCCCC(=O)O)cc2C)C=C1
Systematic name  (3)：
  • 3,5-ビス(4-メトキシフェニル)-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-ビス(4-メトキシフェニル)-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-bis(4-methoxyphenyl)-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-Bis(4-methoxyphenyl)-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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