Chem
J-GLOBAL ID：201007036240991018   Nikkaji number：J2.817.727E

1,3-Bis[5-[3,4,5-tris(hexadecyloxy)phenyl]-2-pyrrolyl]-3-(difluoroboryloxy)-2-propene-1-one

1,3-ビス[5-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]-2-ピロリル]-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： C119H209BF2N2O8
Molecular formula furigana： C119-H209-B-F2-N2-O8
Molecular weight： 1844.790
InChI： InChI=1S/C119H209BF2N2O8/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-95-126-114-101-106(102-115(127-96-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)118(114)130-99-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)108-91-93-110(123-108)112(125)105-113(132-120(121)122)111-94-92-109(124-111)107-103-116(128-97-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)119(131-100-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)117(104-107)129-98-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-94,101-105,123-124H,7-90,95-100H2,1-6H3
InChI key： JPSKQMAQMINGLP-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)c1ccc([nH]1)C(=O)C=C(OB(F)F)c1ccc([nH]1)c1cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c1
Systematic name  (5)：
  • 1,3-ビス[5-[3,4,5-トリス(ヘキサデシルオキシ)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
  • 1,3-ビス[5-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]-2-ピロリル]-3-(ジフルオロボリルオキシ)-2-プロペン-1-オン
  • 1,3-ビス[5-[3,4,5-トリス(ヘキサデシルオキシ)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
  • 3-オキソ-1,3-ビス({5-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]-1H-ピロール-2-イル})プロパ-1-エン-1-イル ジフルオロボリナート
  • 3-oxo-1,3-bis({5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrol-2-yl})prop-1-en-1-yl difluoroborinate
Other name (3)：
  • 1,3-Bis[5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-(difluoroboryloxy)-2-propene-1-one
  • 1,3-Bis[5-[3,4,5-tris(hexadecyloxy)phenyl]-2-pyrrolyl]-3-(difluoroboryloxy)-2-propene-1-one
  • 1,3-Bis[5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
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