Chem
J-GLOBAL ID：200907025714363398   Nikkaji number：J865.780G

N,N′,N′′-Tris[4-[4-[4-(octyloxy)phenyl]-1,3-butadiynyl]phenyl]-1,3,5-benzenetricarboxamide

N,N′,N′′-トリス[4-[4-[4-(オクチルオキシ)フェニル]-1,3-ブタジイニル]フェニル]-1,3,5-ベンゼントリカルボアミド
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： C81H81N3O6
Molecular formula furigana： C81-H81-N3-O6
Molecular weight： 1192.554
InChI： InChI=1S/C81H81N3O6/c1-4-7-10-13-16-25-58-88-76-52-40-67(41-53-76)31-22-19-28-64-34-46-73(47-35-64)82-79(85)70-61-71(80(86)83-74-48-36-65(37-49-74)29-20-23-32-68-42-54-77(55-43-68)89-59-26-17-14-11-8-5-2)63-72(62-70)81(87)84-75-50-38-66(39-51-75)30-21-24-33-69-44-56-78(57-45-69)90-60-27-18-15-12-9-6-3/h34-57,61-63H,4-18,25-27,58-60H2,1-3H3,(H,82,85)(H,83,86)(H,84,87)
InChI key： FMCCEOQDZQDIMI-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(NC(=O)c2cc(cc(c2)C(=O)Nc2ccc(cc2)C#CC#Cc2ccc(OCCCCCCCC)cc2)C(=O)Nc2ccc(cc2)C#CC#Cc2ccc(OCCCCCCCC)cc2)cc1
Systematic name  (3)：
  • N,N′,N′′-トリス[4-[4-[4-(オクチルオキシ)フェニル]-1,3-ブタジイニル]フェニル]-1,3,5-ベンゼントリカルボアミド
  • N1,N3,N5-トリス(4-{4-[4-(オクチルオキシ)フェニル]ブタ-1,3-ジイン-1-イル}フェニル)ベンゼン-1,3,5-トリカルボキサミド
  • N1,N3,N5-tris(4-{4-[4-(octyloxy)phenyl]buta-1,3-diyn-1-yl}phenyl)benzene-1,3,5-tricarboxamide
Other name (1)：
  • N,N′,N′′-Tris[4-[4-[4-(octyloxy)phenyl]-1,3-butadiynyl]phenyl]-1,3,5-benzenetricarboxamide
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