N,N,N'-Triphenylbenzidine - ≥97% , CAS No.167218-30-6

CAS: 167218-30-6 Cat. No.: I132277 Formula: C₃₀H₂₄N₂ Molecular Weight: 412.54

GRADE & PURITY ≥97%

Synonyms

N4,N4,N4'-Triphenyl-[1,1'-biphenyl]-4,4'-diamine | [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4'-triphenyl- | AKOS015998656 | XHPBZHOZZVRDHL-UHFFFAOYSA-N | FT-0733130 | MFCD17926476 | 4-Diphenylamino-4'-phenylaminobiphenyl | N~4~,N~4~,N~4'~-Triphenyl[1,1'-biphe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N4,N4,N4'-Triphenyl-[1,1'-biphenyl]-4,4'-diamine | [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4'-triphenyl- | AKOS015998656 | XHPBZHOZZVRDHL-UHFFFAOYSA-N | FT-0733130 | MFCD17926476 | 4-Diphenylamino-4'-phenylaminobiphenyl | N~4~,N~4~,N~4'~-Triphenyl[1,1'-biphe

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

504769121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769121

Canonical Smiles

C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5

IUPAC Name

N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline

InChIKey

XHPBZHOZZVRDHL-UHFFFAOYSA-N

INCHI

1S/C30H24N2/c1-4-10-26(11-5-1)31-27-20-16-24(17-21-27)25-18-22-30(23-19-25)32(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23,31H

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5

Molecular Weight

412.54

Reaxy-Rn

10578216

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10578216&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Biphenyls and derivatives Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Biphenyl - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - 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

Chemical and Physical Properties

• Melt Point(°C): 167 °C
• Molecular Weight: 412.500 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 412.194 Da
• Monoisotopic Mass: 412.194 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 495.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 167218-30-6, the molecular formula is C30H24N2, and the molecular weight is 412.54 g/mol. InChIKey XHPBZHOZZVRDHL-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.