Chem
J-GLOBAL ID：201807010921784096   Nikkaji number：J3.679.111J

6-Ethyl-4,4-difluoro-1,3,5,7-tetramethyl-8-(4-methylphenyl)-2-((2-aminophenyl)amino)-3a-aza-4a-azonia-4-bora(IV)-s-indacene

6-エチル-4,4-ジフルオロ-1,3,5,7-テトラメチル-8-(4-メチルフェニル)-2-((2-アミノフェニル)アミノ)-3a-アザ-4a-アゾニア-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： C28H31BF2N3[N+]
Molecular formula furigana： C28-H31-B-F2-N4
Molecular weight： 472.390
InChI： InChI=1S/C28H31BF2N4/c1-7-22-17(3)27-25(21-14-12-16(2)13-15-21)28-18(4)26(33-24-11-9-8-10-23(24)32)20(6)35(28)29(30,31)34(27)19(22)5/h8-15,33H,7,32H2,1-6H3/q+1
InChI key： VYJVHTLVIPJXJT-UHFFFAOYSA-N
SMILES： CCC1=C(C)C2=C(c3c(C)c(Nc4ccccc4N)c(C)n3[B](F)(F)[N+]2=C1C)c1ccc(C)cc1
Systematic name  (3)：
  • 6-エチル-4,4-ジフルオロ-1,3,5,7-テトラメチル-8-(4-メチルフェニル)-2-((2-アミノフェニル)アミノ)-3a-アザ-4a-アゾニア-4-ボラ(IV)-s-インダセン
  • 5-[(2-アミノフェニル)アミノ]-11-エチル-2,2-ジフルオロ-4,6,10,12-テトラメチル-8-(4-メチルフェニル)-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-[(2-aminophenyl)amino]-11-ethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-(4-methylphenyl)-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 6-Ethyl-4,4-difluoro-1,3,5,7-tetramethyl-8-(4-methylphenyl)-2-((2-aminophenyl)amino)-3a-aza-4a-azonia-4-bora(IV)-s-indacene
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