Chem
J-GLOBAL ID：201207027466540278   Nikkaji number：J3.087.143J

4,4-Difluoro-5-[4-[bis[1-(2-pyridinylmethyl)-1H-1,2,3-triazole-4-ylmethyl]amino]styryl]-8-phenyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene

4,4-ジフルオロ-5-[4-[ビス[1-(2-ピリジニルメチル)-1H-1,2,3-トリアゾール-4-イルメチル]アミノ]スチリル]-8-フェニル-4H-3a-アゾニア-4-ボラ(IV)-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： C41H34BF2N10[N+]
Molecular formula furigana： C41-H34-B-F2-N11
Molecular weight： 729.610
InChI： InChI=1S/C41H34BF2N11/c43-42(44)54-24-8-13-39(54)41(32-9-2-1-3-10-32)40-21-20-38(55(40)42)19-16-31-14-17-37(18-15-31)51(25-35-29-52(49-47-35)27-33-11-4-6-22-45-33)26-36-30-53(50-48-36)28-34-12-5-7-23-46-34/h1-24,29-30H,25-28H2/q+1
InChI key： TYVSJDBYBKHERI-UHFFFAOYSA-N
SMILES： F[B]1(F)n2c(C=Cc3ccc(cc3)N(Cc3cn(Cc4ccccn4)nn3)Cc3cn(Cc4ccccn4)nn3)ccc2C(=C2C=CC=[N+]12)c1ccccc1
Systematic name  (3)：
  • 4,4-ジフルオロ-5-[4-[ビス[1-(2-ピリジニルメチル)-1H-1,2,3-トリアゾール-4-イルメチル]アミノ]スチリル]-8-フェニル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
  • 4-(2-{4-[ビス({1-[(ピリジン-2-イル)メチル]-1H-1,2,3-トリアゾール-4-イル}メチル)アミノ]フェニル}エテニル)-2,2-ジフルオロ-8-フェニル-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
  • 4-(2-{4-[bis({1-[(pyridin-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methyl)amino]phenyl}ethenyl)-2,2-difluoro-8-phenyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 4,4-Difluoro-5-[4-[bis[1-(2-pyridinylmethyl)-1H-1,2,3-triazole-4-ylmethyl]amino]styryl]-8-phenyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
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