Tetra-N-phenylbenzidine - ≥98% , CAS No.15546-43-7

CAS: 15546-43-7 Cat. No.: T101328 Formula: C₃₆H₂₈N₂ Molecular Weight: 488.62 EC Number: 239-599-0 PubChem CID: 84981

GRADE & PURITY ≥98%

Synonyms

TPB | N,N,N1,N1-Tetraphenylbenzidine | T1812 | MLS000577562 | T3266 | (1,1'-Biphenyl)-4,4'-diamine, N,N,N',N'-tetraphenyl- | DTXSID2065913 | SB66534 | W-108018 | N,N,N',N'-Tetraphenylbenzidine (purified by sublimation) | N,N,N',N'-Tetraphenyl-1,1'-bipheny

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

TPB | N,N,N1,N1-Tetraphenylbenzidine | T1812 | MLS000577562 | T3266 | (1,1'-Biphenyl)-4,4'-diamine, N,N,N',N'-tetraphenyl- | DTXSID2065913 | SB66534 | W-108018 | N,N,N',N'-Tetraphenylbenzidine (purified by sublimation) | N,N,N',N'-Tetraphenyl-1,1'-bipheny

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488186292

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186292

Canonical Smiles

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

IUPAC Name

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

InChIKey

DCZNSJVFOQPSRV-UHFFFAOYSA-N

INCHI

1S/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H

Isomeric SMILES

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

WGK Germany

3

PubChem CID

84981

Molecular Weight

488.62

Reaxy-Rn

2955401

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 Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Biphenyl - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - 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

• x_melt_point_char: 230-234°C
• Molecular Weight: 488.600 g/mol
• XLogP3: 10.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 488.225 Da
• Monoisotopic Mass: 488.225 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 557.000
• 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