N-[1,1'-biphenyl]-4-yl-2-Dibenzofuranamine - ≥98% , CAS No.1300028-94-7

CAS: 1300028-94-7 Cat. No.: N932147 Molecular Weight: 335.400

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC4=C(C=C3)OC5=CC=CC=C54
• IUPAC Name: N-(4-phenylphenyl)dibenzofuran-2-amine
• InChIKey: GOHKEMJXFBPCBO-UHFFFAOYSA-N
• INCHI: 1S/C24H17NO/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24/h1-16,25H
• Molecular Weight: 335.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Biphenyls and derivatives Aniline and substituted anilines Primary aromatic amines Heteroaromatic compounds Furans Secondary amines Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Biphenyl - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Furan - Heteroaromatic compound - Secondary amine - Oxacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• 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

Chemical and Physical Properties

• Molecular Weight: 335.400 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 335.131 Da
• Monoisotopic Mass: 335.131 Da
• Topological Polar Surface Area: 25.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 451.000
• 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