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

CAS: 1160294-96-1 Cat. No.: B398548 Molecular Weight: 486.62 EC Number: 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

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-

Specifications & Purity

≥99.5%

Storage

Room temperature

Shipped In

Normal

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 504771775
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771775
• Canonical 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
• 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
• Isomeric 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
• Molecular Weight: 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
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Flash Point(°C): 381 ºC
• Boil Point(°C): 706 ºC
• Melt Point(°C): 178.0 to 187.0 °C
• Molecular Weight: 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