Bis[4-(diphenylamino)phenyl]methanone - ≥95% , CAS No.2873-76-9

CAS: 2873-76-9 Cat. No.: B1287814 Peso molecular: 516.6 PubChem CID: 13099377

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6
• IUPAC Name: bis[4-(N-phenylanilino)phenyl]methanone
• InChIKey: CKWRKMQGPPYFQH-UHFFFAOYSA-N
• INCHI: 1S/C37H28N2O/c40-37(29-21-25-35(26-22-29)38(31-13-5-1-6-14-31)32-15-7-2-8-16-32)30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
• Isómeros SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6
• PubChem CID: 13099377
• Peso molecular: 516.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Benzophenones Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Aniline and substituted anilines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Benzophenone - Aryl-phenylketone - Diphenylmethane - Aniline or substituted anilines - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 516.600 g/mol
• XLogP3: 9.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 516.22 Da
• Monoisotopic Mass: 516.22 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 644.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1