Chem
J-GLOBAL ID：201307012600307496   Nikkaji number：J3.215.211B

1,3-Bis[3,4-difluoro-5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-(difluoroboryloxy)-2-propene-1-one

1,3-ビス[3,4-ジフルオロ-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
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： C119H205BF6N2O8
Molecular formula furigana： C119-H205-B-F6-N2-O8
Molecular weight： 1916.760
InChI： InChI=1S/C119H205BF6N2O8/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-130-106-97-102(98-107(131-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)118(106)134-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)114-110(121)112(123)116(127-114)104(129)101-105(136-120(125)126)117-113(124)111(122)115(128-117)103-99-108(132-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)119(135-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)109(100-103)133-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h97-101,127-128H,7-96H2,1-6H3
InChI key： KRGAYMLOUSLZQP-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)c1[nH]c(C(=O)C=C(OB(F)F)c2[nH]c(c(F)c2F)c2cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c2)c(F)c1F
Systematic name  (4)：
  • 1,3-ビス[3,4-ジフルオロ-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[3,4-ジフルオロ-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({3,4-ジフルオロ-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-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-difluoro-5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrol-2-yl})-3-oxoprop-1-en-1-yl difluoroborinate
Other name (2)：
  • 1,3-Bis[3,4-difluoro-5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-(difluoroboryloxy)-2-propene-1-one
  • 1,3-Bis[3,4-difluoro-5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
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