Chem
J-GLOBAL ID：201107068924084350   Nikkaji number：J2.892.836J

3-[Bis(2-pyridinylmethyl)amino]-5-[4-(trimethylsilylethynyl)phenylethynyl]-8-(4-methylphenyl)-4,4-difluoro-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene

3-[ビス(2-ピリジニルメチル)アミノ]-5-[4-(トリメチルシリルエチニル)フェニルエチニル]-8-(4-メチルフェニル)-4,4-ジフルオロ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
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： C41H36BF2N4[N+]Si
Molecular formula furigana： C41-H36-B-F2-N5-SI
Molecular weight： 675.670
InChI： InChI=1S/C41H36BF2N5Si/c1-31-11-18-34(19-12-31)41-38-22-21-37(20-17-32-13-15-33(16-14-32)25-28-50(2,3)4)48(38)42(43,44)49-39(41)23-24-40(49)47(29-35-9-5-7-26-45-35)30-36-10-6-8-27-46-36/h5-16,18-19,21-24,26-27H,29-30H2,1-4H3/q+1
InChI key： LQWCSNJESDTGNK-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C1=C2C=CC(=[N+]2[B](F)(F)n2c(ccc12)C#Cc1ccc(cc1)C#C[Si](C)(C)C)N(Cc1ccccn1)Cc1ccccn1
Systematic name  (3)：
  • 3-[ビス(2-ピリジニルメチル)アミノ]-5-[4-(トリメチルシリルエチニル)フェニルエチニル]-8-(4-メチルフェニル)-4,4-ジフルオロ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
  • 12-{ビス[(ピリジン-2-イル)メチル]アミノ}-2,2-ジフルオロ-8-(4-メチルフェニル)-4-(2-{4-[2-(トリメチルシリル)エチニル]フェニル}エチニル)-1λ5,3-ジアザ-2λ4-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
  • 12-{bis[(pyridin-2-yl)methyl]amino}-2,2-difluoro-8-(4-methylphenyl)-4-(2-{4-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 3-[Bis(2-pyridinylmethyl)amino]-5-[4-(trimethylsilylethynyl)phenylethynyl]-8-(4-methylphenyl)-4,4-difluoro-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene
Thsaurus map：
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