4-[4-(diphenylamino)phenyl]-N,N-diphenylaniline

• ChemBase ID: 141422
• Molecular Formular: C36H28N2
• Molecular Mass: 488.62092
• Monoisotopic Mass: 488.22524891
• SMILES: c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: 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
• InChIKey: DCZNSJVFOQPSRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(diphenylamino)phenyl]-N,N-diphenylaniline
• IUPAC Traditional name: 4-[4-(diphenylamino)phenyl]-N,N-diphenylaniline
• Synonyms: N,N-Diphenyl-4-[4-(N-phenylanilino)phenyl]aniline; N,N,N',N'-Tetraphenylbenzidine; TPB; N,N,N′,N′-Tetraphenylbenzidine; Tetraphenylbenzidine; Tetra-N-phenylbenzidine; N4,N4,N4',N4'-Tetraphenyl-[1,1'-biphenyl]-4,4'-diaMine; N,N,N′,N′-四苯基联苯胺; 四苯基联苯胺; 四-N-苯基联苯胺

Database IDs

• CAS Number: 15546-43-7
• EC Number: 239-599-0
• MDL Number: MFCD00228123
• PubChem SID: 24884382; 162235656
• PubChem CID: 84981

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 10.263592
• LogD (pH = 7.4): 10.263592
• Log P: 10.263592
• Molar Refractivity: 157.5152 cm^3
• Polarizability: 62.23555 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 230-234 °C; 230-234°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C36H28N2

DETAILS

Sigma Aldrich - 658812

Packaging
5 g in glass bottle