4-(triphenylmethyl)aniline hydrochloride

• ChemBase ID: 109946
• Molecular Formular: C25H22ClN
• Molecular Mass: 371.90188
• Monoisotopic Mass: 371.14407739
• SMILES: Cl.Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C25H21N.ClH/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-19H,26H2;1H
• InChIKey: GGYQDMHUVMIEFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(triphenylmethyl)aniline hydrochloride
• IUPAC Traditional name: 4-(triphenylmethyl)aniline hydrochloride
• Synonyms: P-AMINOTETRAPHENYLMETHANE HCl

Database IDs

• PubChem SID: 162106364
• PubChem CID: 361283

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.071984
• LogD (pH = 7.4): 6.090546
• Log P: 6.090788
• Molar Refractivity: 109.7093 cm^3
• Polarizability: 42.1801 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05213125

MP Biomedicals Rare Chemical collection