Chem
J-GLOBAL ID：201507013370718396   Nikkaji number：J3.451.856D

1,3-Bis[3,4-diethyl-5-(4-fluorophenylethynyl)-1H-pyrrole-2-yl]-3-(difluoroboryloxy)-2-propene-1-one

1,3-ビス[3,4-ジエチル-5-(4-フルオロフェニルエチニル)-1H-ピロール-2-イル]-3-(ジフルオロボリルオキシ)-2-プロペン-1-オン
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： C35H31BF4N2O2
Molecular formula furigana： C35-H31-B-F4-N2-O2
Molecular weight： 598.450
InChI： InChI=1S/C35H31BF4N2O2/c1-5-26-28(7-3)34(41-30(26)19-13-22-9-15-24(37)16-10-22)32(43)21-33(44-36(39)40)35-29(8-4)27(6-2)31(42-35)20-14-23-11-17-25(38)18-12-23/h9-12,15-18,21,41-42H,5-8H2,1-4H3
InChI key： NCRKTKVITAPMAC-UHFFFAOYSA-N
SMILES： CCc1c(CC)c([nH]c1C#Cc1ccc(F)cc1)C(=O)C=C(OB(F)F)c1[nH]c(C#Cc2ccc(F)cc2)c(CC)c1CC
Systematic name  (4)：
  • 1,3-ビス[3,4-ジエチル-5-(4-フルオロフェニルエチニル)-1H-ピロール-2-イル]-3-(ジフルオロボリルオキシ)-2-プロペン-1-オン
  • 1,3-ビス[3,4-ジエチル-5-[(4-フルオロフェニル)エチニル]-1H-ピロール-2-イル]-3-[(ジフルオロボリル)オキシ]-2-プロペン-1-オン
  • 1,3-ビス({3,4-ジエチル-5-[2-(4-フルオロフェニル)エチニル]-1H-ピロール-2-イル})-3-オキソプロパ-1-エン-1-イル ジフルオロボリナート
  • 1,3-bis({3,4-diethyl-5-[2-(4-fluorophenyl)ethynyl]-1H-pyrrol-2-yl})-3-oxoprop-1-en-1-yl difluoroborinate
Other name (2)：
  • 1,3-Bis[3,4-diethyl-5-(4-fluorophenylethynyl)-1H-pyrrole-2-yl]-3-(difluoroboryloxy)-2-propene-1-one
  • 1,3-Bis[3,4-diethyl-5-[(4-fluorophenyl)ethynyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
Thsaurus map：
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