Chem
J-GLOBAL ID：200907061102168630   Nikkaji number：J2.666.500K

1,3,5-Tris[3-(3-phenylureido)phenylethynyl]benzene

1,3,5-トリス[3-(3-フェニルウレイド)フェニルエチニル]ベンゼン
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： C51H36N6O3
Molecular formula furigana： C51-H36-N6-O3
Molecular weight： 780.888
InChI： InChI=1S/C51H36N6O3/c58-49(52-43-16-4-1-5-17-43)55-46-22-10-13-37(34-46)25-28-40-31-41(29-26-38-14-11-23-47(35-38)56-50(59)53-44-18-6-2-7-19-44)33-42(32-40)30-27-39-15-12-24-48(36-39)57-51(60)54-45-20-8-3-9-21-45/h1-24,31-36H,(H2,52,55,58)(H2,53,56,59)(H2,54,57,60)
InChI key： IQEYWLAQPSVPPL-UHFFFAOYSA-N
SMILES： O=C(Nc1ccccc1)Nc1cccc(c1)C#Cc1cc(cc(c1)C#Cc1cccc(NC(=O)Nc2ccccc2)c1)C#Cc1cccc(NC(=O)Nc2ccccc2)c1
Systematic name  (3)：
  • 1,3,5-トリス[3-(3-フェニルウレイド)フェニルエチニル]ベンゼン
  • 1-(3-{2-[3,5-ビス(2-{3-[(フェニルカルバモイル)アミノ]フェニル}エチニル)フェニル]エチニル}フェニル)-3-フェニル尿素
  • 1-(3-{2-[3,5-bis(2-{3-[(phenylcarbamoyl)amino]phenyl}ethynyl)phenyl]ethynyl}phenyl)-3-phenylurea
Other name (1)：
  • 1,3,5-Tris[3-(3-phenylureido)phenylethynyl]benzene
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