N,N'-Di(9-phenanthrenyl)-N,N'-diphenylbenzidine - ≥98% , CAS No.182507-83-1

CAS: 182507-83-1 Cat. No.: N404199 Fórmula: C₅₂H₃₆N₂ Peso molecular: 688.87

GRADE & PURITY ≥98%

Synonyms

n,n'-bis(phenanthren-9-yl)-n,n'-bis(phenyl)-benzidine | N~4~,N~4'~-Di(phenanthren-9-yl)-N~4~,N~4'~-diphenyl[1,1'-biphenyl]-4,4'-diamine | SB66448 | SCHEMBL185349 | N,N'-Bis(9-phenanthrenyl)-N,N'-diphenylbenzidine | N,N'-BIS(PHENANTHREN-9-YL)-N,N'-DIPHENYL

Storage

Room temperature

Specifications

Sinónimos

n,n'-bis(phenanthren-9-yl)-n,n'-bis(phenyl)-benzidine | N~4~,N~4'~-Di(phenanthren-9-yl)-N~4~,N~4'~-diphenyl[1,1'-biphenyl]-4,4'-diamine | SB66448 | SCHEMBL185349 | N,N'-Bis(9-phenanthrenyl)-N,N'-diphenylbenzidine | N,N'-BIS(PHENANTHREN-9-YL)-N,N'-DIPHENYL

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504769206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769206
• Sorrisos canónicos: C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75)C8=CC9=CC=CC=C9C1=CC=CC=C18
• IUPAC Name: N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
• InChIKey: LBFXFIPIIMAZPK-UHFFFAOYSA-N
• INCHI: 1S/C52H36N2/c1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52/h1-36H
• SMILES isoméricas: C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75)C8=CC9=CC=CC=C9C1=CC=CC=C18
• Peso molecular: 688.87
• Reaxy-Rn: 14393965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14393965&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Phenanthrenes and derivatives Biphenyls and derivatives Naphthalenes Aniline and substituted anilines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tertiary aromatic amine - Phenanthrene - Biphenyl - Naphthalene - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 293 °C
• Peso molecular: 688.900 g/mol
• XLogP3: 15.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 688.288 Da
• Monoisotopic Mass: 688.288 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1060.000
• 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