Chem
J-GLOBAL ID：201807014470738708   Nikkaji number：J3.720.780B

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

1,3-ビス[3,4-ジエチル-5-[[3,4,5-トリス(ヘキサデシルオキシ)フェニル]エチニル]-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： C131H225BF2N2O8
Molecular formula furigana： C131-H225-B-F2-N2-O8
Molecular weight： 2005.050
InChI： InChI=1S/C131H225BF2N2O8/c1-11-21-27-33-39-45-51-57-63-69-75-81-87-93-103-138-124-109-114(110-125(139-104-94-88-82-76-70-64-58-52-46-40-34-28-22-12-2)130(124)142-107-97-91-85-79-73-67-61-55-49-43-37-31-25-15-5)99-101-120-116(17-7)118(19-9)128(135-120)122(137)113-123(144-132(133)134)129-119(20-10)117(18-8)121(136-129)102-100-115-111-126(140-105-95-89-83-77-71-65-59-53-47-41-35-29-23-13-3)131(143-108-98-92-86-80-74-68-62-56-50-44-38-32-26-16-6)127(112-115)141-106-96-90-84-78-72-66-60-54-48-42-36-30-24-14-4/h109-113,135-136H,11-98,103-108H2,1-10H3
InChI key： KTEBIVBABIOPBH-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)C#Cc1[nH]c(C(=O)C=C(OB(F)F)c2[nH]c(C#Cc3cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)c3)c(CC)c2CC)c(CC)c1CC
Systematic name  (3)：
  • 1,3-ビス[3,4-ジエチル-5-[[3,4,5-トリス(ヘキサデシルオキシ)フェニル]エチニル]-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-ジエチル-5-{2-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]エチニル}-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-diethyl-5-{2-[3,4,5-tris(hexadecyloxy)phenyl]ethynyl}-1H-pyrrol-2-yl)-3-oxoprop-1-en-1-yl difluoroborinate
Other name (1)：
  • 1,3-Bis[3,4-diethyl-5-[[3,4,5-tris(hexadecyloxy)phenyl]ethynyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
Thsaurus map：
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