Chem
J-GLOBAL ID：201107018366773988   Nikkaji number：J2.995.336H

4′-[2-[1-(Difluoroboryl)-3,5-dimethyl-1H-pyrrole-2-ylmethylene]-3-(2-butyloctyloxy)-2H-pyrrole-5-yl]-2,2′:6′,2′′-terpyridine

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]-2,2′:6′,2′′-テルピリジン
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： C38H44BF2N5O
Molecular formula furigana： C38-H44-B-F2-N5-O
Molecular weight： 635.610
InChI： InChI=1S/C38H44BF2N5O/c1-5-7-9-10-16-29(15-8-6-2)26-47-38-25-33(44-36(38)24-37-27(3)21-28(4)46(37)39(40)41)30-22-34(31-17-11-13-19-42-31)45-35(23-30)32-18-12-14-20-43-32/h11-14,17-25,29H,5-10,15-16,26H2,1-4H3
InChI key： WJWYPWBKDZQKOX-UHFFFAOYSA-N
SMILES： CCCCCCC(CCCC)COC1=CC(=NC1=Cc1c(C)cc(C)n1B(F)F)c1cc(nc(c1)c1ccccn1)c1ccccn1
Systematic name  (3)：
  • 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]-2,2′:6′,2′′-テルピリジン
  • 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}-6-(ピリジン-2-イル)-2,2'-ビピリジン
  • 4-{3-[(2-butyloctyl)oxy]-2-{[1-(difluoroboranyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-2H-pyrrol-5-yl}-6-(pyridin-2-yl)-2,2'-bipyridine
Other name (1)：
  • 4′-[2-[1-(Difluoroboryl)-3,5-dimethyl-1H-pyrrole-2-ylmethylene]-3-(2-butyloctyloxy)-2H-pyrrole-5-yl]-2,2′:6′,2′′-terpyridine
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