Chem
J-GLOBAL ID：201707004021060060
Nikkaji number：J3.574.724I
1,1′-((2,2′-(1-Oxo-3-difluoroboryloxy-2-propene-1,3-diyl)bis(3,4-diethyl-1H-pyrrole))-5,5′-diyl)bis(3-(3,4-diethyl-1H-pyrrole-2-yl)-3-difluoroboryloxy-2-propene-1-one)
1,1′-((2,2′-(1-オキソ-3-ジフルオロボリルオキシ-2-プロペン-1,3-ジイル)ビス(3,4-ジエチル-1H-ピロール))-5,5′-ジイル)ビス(3-(3,4-ジエチル-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 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
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
Molecular formula： C41H49B3F6N4O6
Molecular formula furigana： C41-H49-B3-F6-N4-O6
Molecular weight： 840.290
InChI：
InChI=1S/C41H49B3F6N4O6/c1-9-22-20-51-39(24(22)11-3)33(58-42(45)46)17-30(55)36-26(13-5)27(14-6)37(53-36)32(57)19-35(60-44(49)50)41-29(16-8)28(15-7)38(54-41)31(56)18-34(59-43(47)48)40-25(12-4)23(10-2)21-52-40/h17-21,51-54H,9-16H2,1-8H3
InChI key：
RDSHBALECNUOHN-UHFFFAOYSA-N
SMILES：
CCc1c[nH]c(C(=CC(=O)c2[nH]c(C(=O)C=C(OB(F)F)c3[nH]c(C(=O)C=C(OB(F)F)c4[nH]cc(CC)c4CC)c(CC)c3CC)c(CC)c2CC)OB(F)F)c1CC
Systematic name (3)：
- 1,1′-((2,2′-(1-オキソ-3-ジフルオロボリルオキシ-2-プロペン-1,3-ジイル)ビス(3,4-ジエチル-1H-ピロール))-5,5′-ジイル)ビス(3-(3,4-ジエチル-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-(3,4-ジエチル-1H-ピロール-2-イル)-3-[5-(3-{5-[3-(3,4-ジエチル-1H-ピロール-2-イル)-3-[(ジフルオロボラニル)オキシ]プロパ-2-エノイル]-3,4-ジエチル-1H-ピロール-2-イル}-3-[(ジフルオロボラニル)オキシ]プロパ-2-エノイル)-3,4-ジエチル-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-(3,4-diethyl-1H-pyrrol-2-yl)-3-[5-(3-{5-[3-(3,4-diethyl-1H-pyrrol-2-yl)-3-[(difluoroboranyl)oxy]prop-2-enoyl]-3,4-diethyl-1H-pyrrol-2-yl}-3-[(difluoroboranyl)oxy]prop-2-enoyl)-3,4-diethyl-1H-pyrrol-2-yl]-3-oxoprop-1-en-1-yl difluoroborinate
- 1,1′-((2,2′-(1-Oxo-3-difluoroboryloxy-2-propene-1,3-diyl)bis(3,4-diethyl-1H-pyrrole))-5,5′-diyl)bis(3-(3,4-diethyl-1H-pyrrole-2-yl)-3-difluoroboryloxy-2-propene-1-one)
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