N,N,N',N'-Tetrakis(4-biphenylyl)benzidine - ≥98%(HPLC) , CAS No.164724-35-0

CAS: 164724-35-0 Cat. No.: N159577 Formule: C₆₀H₄₄N₂ Poids moléculaire: 793.03

GRADE & PURITY ≥98%(HPLC)

Synonyms

4,4'-diamine | A847609 | N4,N4,N4',N4'-tetra([1,1'-biphenyl]-4-yl)-[1,1'-biphenyl]-4,4'-diamine;N4,N4,N4',N4'-Tetra(4-biphenylyl)-biphenyl-4,4'-diamine | SY038347 | N~4~,N~4~,N~4'~,N~4'~-Tetra([1,1'-biphenyl]-4-yl)[1,1'-biphenyl]-4,4'-diamine | [1,1'-Biph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4,4'-diamine | A847609 | N4,N4,N4',N4'-tetra([1,1'-biphenyl]-4-yl)-[1,1'-biphenyl]-4,4'-diamine;N4,N4,N4',N4'-Tetra(4-biphenylyl)-biphenyl-4,4'-diamine | SY038347 | N~4~,N~4~,N~4'~,N~4'~-Tetra([1,1'-biphenyl]-4-yl)[1,1'-biphenyl]-4,4'-diamine | [1,1'-Biph

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488199061

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199061

Sourires canoniques

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1

IUPAC Name

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

InChIKey

WXAIEIRYBSKHDP-UHFFFAOYSA-N

INCHI

1S/C60H44N2/c1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48/h1-44H

Isomères SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1

Poids moléculaire

793.03

Reaxy-Rn

3527796

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3527796&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: Biphenyls and derivatives Aniline and substituted anilines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Biphenyl - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 265°C(lit.)
• Poids moléculaire: 793.000 g/mol
• XLogP3: 16.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 792.35 Da
• Monoisotopic Mass: 792.35 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 62
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 164724-35-0, the molecular formula is C60H44N2, and the molecular weight is 793.03 g/mol. InChIKey WXAIEIRYBSKHDP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.