Chem
J-GLOBAL ID：201307037162035146   Nikkaji number：J3.192.310G

4-[3,4,5-Tris(hexadecyloxy)phenyl]-3,5-di(1H-pyrrole-2-yl)-1H-pyrazole

4-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]-3,5-ジ(1H-ピロール-2-イル)-1H-ピラゾール
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： C65H110N4O3
Molecular formula furigana： C65-H110-N4-O3
Molecular weight： 995.620
InChI： InChI=1S/C65H110N4O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52-70-60-55-57(62-63(58-48-46-50-66-58)68-69-64(62)59-49-47-51-67-59)56-61(71-53-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)65(60)72-54-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-51,55-56,66-67H,4-45,52-54H2,1-3H3,(H,68,69)
InChI key： FYJOYVSCAMPPAK-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)c1c(n[nH]c1c1ccc[nH]1)c1ccc[nH]1
Systematic name  (3)：
  • 3,5-ビス(1H-ピロール-2-イル)-4-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]-1H-ピラゾール
  • 4-[3,4,5-トリス(ヘキサデシルオキシ)フェニル]-3,5-ジ(1H-ピロール-2-イル)-1H-ピラゾール
  • 3,5-bis(1H-pyrrol-2-yl)-4-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrazole
Other name (2)：
  • 3,5-Bis(1H-pyrrole-2-yl)-4-[3,4,5-tris(hexadecyloxy)phenyl]-1H-pyrazole
  • 4-[3,4,5-Tris(hexadecyloxy)phenyl]-3,5-di(1H-pyrrole-2-yl)-1H-pyrazole
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