Chem
J-GLOBAL ID：201007098076272701   Nikkaji number：J2.832.731E

1,5,7-Trimethyl-2,6-diethyl-4,4-difluoro-3-[4-(2-hydroxybenzylamino)styryl]-8-phenyl-3a-azonia-4a-aza-4-bora(IV)-s-indacene

1,5,7-トリメチル-2,6-ジエチル-4,4-ジフルオロ-3-[4-(2-ヒドロキシベンジルアミノ)スチリル]-8-フェニル-3a-アゾニア-4a-アザ-4-ボラ(IV)-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： C37H38BF2N2[N+]O
Molecular formula furigana： C37-H38-B-F2-N3-O
Molecular weight： 589.540
InChI： InChI=1S/C37H38BF2N3O/c1-6-31-24(3)36-35(28-13-9-8-10-14-28)37-25(4)32(7-2)33(43(37)38(39,40)42(36)26(31)5)22-19-27-17-20-30(21-18-27)41-23-29-15-11-12-16-34(29)44/h8-22,41,44H,6-7,23H2,1-5H3/q+1
InChI key： NGKTZOBRZPXLLN-UHFFFAOYSA-N
SMILES： CCC1=C(C)C2=C(c3c(C)c(CC)c(C)n3[B](F)(F)[N+]2=C1C=Cc1ccc(NCc2ccccc2O)cc1)c1ccccc1
Systematic name  (4)：
  • 1,5,7-トリメチル-2,6-ジエチル-3-[4-(2-ヒドロキシベンジルアミノ)スチリル]-4,4-ジフルオロ-8-フェニル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
  • 1,5,7-トリメチル-2,6-ジエチル-4,4-ジフルオロ-3-[4-(2-ヒドロキシベンジルアミノ)スチリル]-8-フェニル-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
  • 5,11-ジエチル-2,2-ジフルオロ-12-[2-(4-{[(2-ヒドロキシフェニル)メチル]アミノ}フェニル)エテニル]-4,6,10-トリメチル-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
  • 5,11-diethyl-2,2-difluoro-12-[2-(4-{[(2-hydroxyphenyl)methyl]amino}phenyl)ethenyl]-4,6,10-trimethyl-8-phenyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (2)：
  • 1,5,7-Trimethyl-2,6-diethyl-3-[4-(2-hydroxybenzylamino)styryl]-4,4-difluoro-8-phenyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
  • 1,5,7-Trimethyl-2,6-diethyl-4,4-difluoro-3-[4-(2-hydroxybenzylamino)styryl]-8-phenyl-3a-azonia-4a-aza-4-bora(IV)-s-indacene
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