Chem
J-GLOBAL ID：201707010425344941
Nikkaji number：J3.574.723K
1,1′-((2,2′-(1-Oxo-3-difluoroboryloxy-2-propene-1,3-diyl)bis(3,4-di(octyloxy)-1H-pyrrole))-5,5′-diyl)bis(3-(3,4-di(octyloxy)-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(オクチルオキシ)-1H-ピロール))-5,5′-ジイル)ビス(3-(3,4-ジ(オクチルオキシ)-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： C89H145B3F6N4O14
Molecular formula furigana： C89-H145-B3-F6-N4-O14
Molecular weight： 1641.570
InChI：
InChI=1S/C89H145B3F6N4O14/c1-9-17-25-33-41-49-57-106-76-68-99-81(84(76)108-59-51-43-35-27-19-11-3)73(114-90(93)94)65-70(103)78-86(110-61-53-45-37-29-21-13-5)87(111-62-54-46-38-30-22-14-6)79(101-78)72(105)67-75(116-92(97)98)83-89(113-64-56-48-40-32-24-16-8)88(112-63-55-47-39-31-23-15-7)80(102-83)71(104)66-74(115-91(95)96)82-85(109-60-52-44-36-28-20-12-4)77(69-100-82)107-58-50-42-34-26-18-10-2/h65-69,99-102H,9-64H2,1-8H3
InChI key：
XWXUZQIPGHUSFG-UHFFFAOYSA-N
SMILES：
CCCCCCCCOc1c[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(OCCCCCCCC)c4OCCCCCCCC)c(OCCCCCCCC)c3OCCCCCCCC)c(OCCCCCCCC)c2OCCCCCCCC)OB(F)F)c1OCCCCCCCC
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(オクチルオキシ)-1H-ピロール))-5,5′-ジイル)ビス(3-(3,4-ジ(オクチルオキシ)-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-ビス(オクチルオキシ)-1H-ピロール-2-イル]-3-{5-[3-(5-{3-[3,4-ビス(オクチルオキシ)-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-ビス(オクチルオキシ)-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-ビス(オクチルオキシ)-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-bis(octyloxy)-1H-pyrrol-2-yl]-3-{5-[3-(5-{3-[3,4-bis(octyloxy)-1H-pyrrol-2-yl]-3-[(difluoroboranyl)oxy]prop-2-enoyl}-3,4-bis(octyloxy)-1H-pyrrol-2-yl)-3-[(difluoroboranyl)oxy]prop-2-enoyl]-3,4-bis(octyloxy)-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-di(octyloxy)-1H-pyrrole))-5,5′-diyl)bis(3-(3,4-di(octyloxy)-1H-pyrrole-2-yl)-3-difluoroboryloxy-2-propene-1-one)
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