Chem
J-GLOBAL ID：201107039148017010   Nikkaji number：J2.989.887A

1-[5-[3,4,5-Tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-(5-phenyl-1H-pyrrole-2-yl)-1-hydroxy-1-propene-3-one

1-[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-(5-フェニル-1H-ピロール-2-イル)-1-ヒドロキシ-1-プロペン-3-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： C71H114N2O5
Molecular formula furigana： C71-H114-N2-O5
Molecular weight： 1075.702
InChI： InChI=1S/C71H114N2O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46-55-76-69-58-62(64-52-54-66(73-64)68(75)60-67(74)65-53-51-63(72-65)61-49-44-43-45-50-61)59-70(77-56-47-41-38-35-32-29-26-23-20-17-14-11-8-5-2)71(69)78-57-48-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43-45,49-54,58-60,72-73,75H,4-42,46-48,55-57H2,1-3H3
InChI key： PCSBBSRCBBMVEZ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)c1ccc([nH]1)C(=CC(=O)c1ccc([nH]1)c1ccccc1)O
Systematic name  (3)：
  • 1-[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-(5-フェニル-1H-ピロール-2-イル)-1-ヒドロキシ-1-プロペン-3-オン
  • 3-ヒドロキシ-1-(5-フェニル-1H-ピロール-2-イル)-3-{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-2-エン-1-オン
  • 3-hydroxy-1-(5-phenyl-1H-pyrrol-2-yl)-3-{5-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrrol-2-yl}prop-2-en-1-one
Other name (1)：
  • 1-[5-[3,4,5-Tris(hexadecyloxy)phenyl]-1H-pyrrole-2-yl]-3-(5-phenyl-1H-pyrrole-2-yl)-1-hydroxy-1-propene-3-one
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