Chem
J-GLOBAL ID:201207063712067257
Nikkaji number:J3.054.734I
1,1′-(1,3-Phenylene)bis(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(3-difluoroboryloxy-3-(3,4-diethyl-5-phenyl-1H-pyrrole-2-yl)-2-propene-1-one)
1,1′-(1,3-フェニレン)ビス(3,4-ジエチル-1H-ピロール-2,5-ジイル)ビス(3-ジフルオロボリルオキシ-3-(3,4-ジエチル-5-フェニル-1H-ピロール-2-イル)-2-プロペン-1-オン)
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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:
C56 H60 B2 F4 N4 O4
Molecular formula furigana:
C56-H60-B2-F4-N4-O4
Molecular weight:
950.730
InChI:
InChI=1S/C56H60B2F4N4O4/c1-9-37-41(13-5)53(45(67)31-47(69-57(59)60)55-43(15-7)39(11-3)49(65-55)33-24-19-17-20-25-33)63-51(37)35-28-23-29-36(30-35)52-38(10-2)42(14-6)54(64-52)46(68)32-48(70-58(61)62)56-44(16-8)40(12-4)50(66-56)34-26-21-18-22-27-34/h17-32,63-66H,9-16H2,1-8H3
InChI key:
YODULBAPASXSLE-UHFFFAOYSA-N
SMILES:
CCc1c(CC)c([nH]c1C(=O)C=C(OB(F)F)c1[nH]c(c(CC)c1CC)c1ccccc1)c1cccc(c1)c1[nH]c(C(=O)C=C(OB(F)F)c2[nH]c(c(CC)c2CC)c2ccccc2)c(CC)c1CC
Systematic name (6):
2,2′-(1,3-フェニレン)ビス[(3,4-ジエチル-1H-ピロール-2,5-ジイル)[3-(ジフルオロボリルオキシ)-1-オキソ-2-プロペン-1,3-ジイル]]ビス(5-フェニル-3,4-ジエチル-1H-ピロール)
1,1′-[1,3-フェニレンビス(3,4-ジエチル-1H-ピロール-2,5-ジイル)]ビス[3-(3,4-ジエチル-5-フェニル-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]
1,1′-[1,3-フェニレンビス(3,4-ジエチル-1H-ピロール-5,2-ジイル)]ビス[3-(3,4-ジエチル-5-フェニル-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]
1,1′-(1,3-フェニレン)ビス(3,4-ジエチル-1H-ピロール-2,5-ジイル)ビス(3-ジフルオロボリルオキシ-3-(3,4-ジエチル-5-フェニル-1H-ピロール-2-イル)-2-プロペン-1-オン)
1-(3,4-ジエチル-5-フェニル-1H-ピロール-2-イル)-3-[5-(3-{5-[3-(3,4-ジエチル-5-フェニル-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}フェニル)-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-5-phenyl-1H-pyrrol-2-yl)-3-[5-(3-{5-[3-(3,4-diethyl-5-phenyl-1H-pyrrol-2-yl)-3-[(difluoroboranyl)oxy]prop-2-enoyl]-3,4-diethyl-1H-pyrrol-2-yl}phenyl)-3,4-diethyl-1H-pyrrol-2-yl]-3-oxoprop-1-en-1-yl difluoroborinate
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Other name (4):
2,2′-(1,3-Phenylene)bis[(3,4-diethyl-1H-pyrrole-2,5-diyl)[3-(difluoroboryloxy)-1-oxo-2-propene-1,3-diyl]]bis(5-phenyl-3,4-diethyl-1H-pyrrole)
1,1′-[1,3-Phenylenebis(3,4-diethyl-1H-pyrrole-2,5-diyl)]bis[3-(3,4-diethyl-5-phenyl-1H-pyrrole-2-yl)-3-(difluoroboryloxy)-2-propene-1-one]
1,1′-[1,3-Phenylenebis(3,4-diethyl-1H-pyrrole-5,2-diyl)]bis[3-(3,4-diethyl-5-phenyl-1H-pyrrole-2-yl)-3-(difluoroboryloxy)-2-propene-1-one]
1,1′-(1,3-Phenylene)bis(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(3-difluoroboryloxy-3-(3,4-diethyl-5-phenyl-1H-pyrrole-2-yl)-2-propene-1-one)
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