Chem
J-GLOBAL ID：201107061228574950   Nikkaji number：J2.995.335J

N,N-Bis(2-pyridylmethyl)-4-[2-[1-(difluoroboryl)-3,5-dimethyl-1H-pyrrole-2-ylmethylene]-3-(2-butyloctyloxy)-2H-pyrrole-5-yl]aniline

N,N-ビス(2-ピリジルメチル)-4-[2-[1-(ジフルオロボリル)-3,5-ジメチル-1H-ピロール-2-イルメチレン]-3-(2-ブチルオクチルオキシ)-2H-ピロール-5-イル]アニリン
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： C41H50BF2N5O
Molecular formula furigana： C41-H50-B-F2-N5-O
Molecular weight： 677.690
InChI： InChI=1S/C41H50BF2N5O/c1-5-7-9-10-16-33(15-8-6-2)30-50-41-27-38(47-39(41)26-40-31(3)25-32(4)49(40)42(43)44)34-19-21-37(22-20-34)48(28-35-17-11-13-23-45-35)29-36-18-12-14-24-46-36/h11-14,17-27,33H,5-10,15-16,28-30H2,1-4H3
InChI key： BIVPFJYGSUTUFW-UHFFFAOYSA-N
SMILES： CCCCCCC(CCCC)COC1=CC(=NC1=Cc1c(C)cc(C)n1B(F)F)c1ccc(cc1)N(Cc1ccccn1)Cc1ccccn1
Systematic name  (3)：
  • N,N-ビス(2-ピリジルメチル)-4-[2-[1-(ジフルオロボリル)-3,5-ジメチル-1H-ピロール-2-イルメチレン]-3-(2-ブチルオクチルオキシ)-2H-ピロール-5-イル]アニリン
  • 4-{3-[(2-ブチルオクチル)オキシ]-2-{[1-(ジフルオロボラニル)-3,5-ジメチル-1H-ピロール-2-イル]メチリデン}-2H-ピロール-5-イル}-N,N-ビス[(ピリジン-2-イル)メチル]アニリン
  • 4-{3-[(2-butyloctyl)oxy]-2-{[1-(difluoroboranyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-2H-pyrrol-5-yl}-N,N-bis[(pyridin-2-yl)methyl]aniline
Other name (1)：
  • N,N-Bis(2-pyridylmethyl)-4-[2-[1-(difluoroboryl)-3,5-dimethyl-1H-pyrrole-2-ylmethylene]-3-(2-butyloctyloxy)-2H-pyrrole-5-yl]aniline
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