(1,1'-Biphenyl)-4-carboxamide, N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)- , CAS No.5924-63-0

CAS: 5924-63-0 Cat. No.: B1264063 Peso molecular: 403.4 Número EC: 227-655-7

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O
• IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-4-phenylbenzamide
• InChIKey: ZRUUGRHGQSECFJ-UHFFFAOYSA-N
• INCHI: 1S/C27H17NO3/c29-25-20-9-4-5-10-21(20)26(30)24-22(25)11-6-12-23(24)28-27(31)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,(H,28,31)
• Peso molecular: 403.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Biphenyls and derivatives Benzamides Benzoyl derivatives Aryl ketones Vinylogous amides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Biphenyl - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Vinylogous amide - Ketone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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: 403.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 403.121 Da
• Monoisotopic Mass: 403.121 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 689.000
• 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