3-[4-(4-Biphenylylamino)phenyl]-9-phenylcarbazole - ≥99.5% , CAS No.1160294-96-1

CAS: 1160294-96-1 Cat. No.: B398548 Peso molecular: 486.62 Número EC: 810-988-2

GRADE & PURITY ≥99.5%

Synonyms

1160294-96-1 | 3-[4-(4-Biphenylylamino)phenyl]-9-phenylcarbazole, 98% | N-[4-(9-Phenyl-9H-carbazol-3-yl)phenyl]-4-biphenylamine | SCHEMBL2818673 | AKOS024259286 | N-(4-(9-Phenyl-9H-carbazol-3-yl)phenyl)-[1,1'-biphenyl]-4-amine | AS-30146 | SB66418 | 3-[4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1160294-96-1 | 3-[4-(4-Biphenylylamino)phenyl]-9-phenylcarbazole, 98% | N-[4-(9-Phenyl-9H-carbazol-3-yl)phenyl]-4-biphenylamine | SCHEMBL2818673 | AKOS024259286 | N-(4-(9-Phenyl-9H-carbazol-3-yl)phenyl)-[1, 1'-biphenyl]-4-amine | AS-30146 | SB66418 | 3-[4-

Especificaciones y pureza

≥99.5%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99.5%

Nombres e identificadores

• Pubchem Sid: 504771775
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771775
• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7
• IUPAC Name: 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• InChIKey: WPQJQVZDUZXMTO-UHFFFAOYSA-N
• INCHI: 1S/C36H26N2/c1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32/h1-25,37H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7
• Peso molecular: 486.62
• Reaxy-Rn: 18306421
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18306421&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Biphenyls and derivatives Phenylpyrroles Indoles Aniline and substituted anilines Primary aromatic amines Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Biphenyl - 1-phenylpyrrole - Indole - Aniline or substituted anilines - Benzenoid - Substituted pyrrole - Primary aromatic amine - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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

Propiedades químicas y físicas

• Punto de inflamación (°C): 381 ºC
• Punto de ebullición (°C): 706 ºC
• Punto de fusión (°C): 178.0 to 187.0 °C
• Peso molecular: 486.600 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 486.21 Da
• Monoisotopic Mass: 486.21 Da
• Topological Polar Surface Area: 17.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 722.000
• 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