Chem
J-GLOBAL ID：200907097344135391
Nikkaji number：J865.781E
N,N′,N′′-Tris[4-(1,3-decadiynyl)phenyl]-1,3,5-benzenetricarboxamide
N,N′,N′′-トリス[4-(1,3-デカジイニル)フェニル]-1,3,5-ベンゼントリカルボアミド
Substance type
Substance type 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
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
Molecular formula： C57H57N3O3
Molecular formula furigana： C57-H57-N3-O3
Molecular weight： 832.101
InChI：
InChI=1S/C57H57N3O3/c1-4-7-10-13-16-19-22-25-28-46-31-37-52(38-32-46)58-55(61)49-43-50(56(62)59-53-39-33-47(34-40-53)29-26-23-20-17-14-11-8-5-2)45-51(44-49)57(63)60-54-41-35-48(36-42-54)30-27-24-21-18-15-12-9-6-3/h31-45H,4-18H2,1-3H3,(H,58,61)(H,59,62)(H,60,63)
InChI key：
IMTFCLXUNAARJK-UHFFFAOYSA-N
SMILES：
CCCCCCC#CC#Cc1ccc(NC(=O)c2cc(cc(c2)C(=O)Nc2ccc(cc2)C#CC#CCCCCCC)C(=O)Nc2ccc(cc2)C#CC#CCCCCCC)cc1
Systematic name (3)：
- N,N′,N′′-トリス[4-(1,3-デカジイニル)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-(デカ-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-(deca-1,3-diyn-1-yl)phenyl]benzene-1,3,5-tricarboxamide
- N,N′,N′′-Tris[4-(1,3-decadiynyl)phenyl]-1,3,5-benzenetricarboxamide
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