Chem
J-GLOBAL ID：201807013186332665   Nikkaji number：J3.720.781K

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

1,3-ビス[3,4-ジメチル-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： C123H217BF2N2O8
Molecular formula furigana： C123-H217-B-F2-N2-O8
Molecular weight： 1900.900
InChI： InChI=1S/C123H217BF2N2O8/c1-11-17-23-29-35-41-47-53-59-65-71-77-83-89-95-130-114-101-110(102-115(131-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-2)122(114)134-99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-5)118-106(7)108(9)120(127-118)112(129)105-113(136-124(125)126)121-109(10)107(8)119(128-121)111-103-116(132-97-91-85-79-73-67-61-55-49-43-37-31-25-19-13-3)123(135-100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-6)117(104-111)133-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-4/h101-105,127-128H,11-100H2,1-10H3
InChI key： XKEMFYUCINASMU-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)c1[nH]c(C(=O)C=C(OB(F)F)c2[nH]c(c(C)c2C)c2cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c2)c(C)c1C
Systematic name  (3)：
  • 1,3-ビス[3,4-ジメチル-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-ジメチル-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-dimethyl-5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrol-2-yl})-3-oxoprop-1-en-1-yl difluoroborinate
Other name (1)：
  • 1,3-Bis[3,4-dimethyl-5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
Thsaurus map：
Thesaurus Map

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