4-[2-(4-fluorophenyl)ethenyl]-N,N-diphenylaniline

• ChemBase ID: 798646
• Molecular Formular: C26H20FN
• Molecular Mass: 365.4421032
• Monoisotopic Mass: 365.15797787
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(cc1)C=Cc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H20FN/c27-23-17-13-21(14-18-23)11-12-22-15-19-26(20-16-22)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-20H
• InChIKey: YVBPHHYDPQRXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-fluorophenyl)ethenyl]-N,N-diphenylaniline
• IUPAC Traditional name: 4-[2-(4-fluorophenyl)ethenyl]-N,N-diphenylaniline
• Synonyms: (4-(2-(4-fluorophenyl)vinyl)phenyl)diphenylamine

Database IDs

• CAS Number: 666830-53-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.777349
• LogD (pH = 7.4): 7.777349
• Log P: 7.777349
• Molar Refractivity: 114.8897 cm^3
• Polarizability: 43.56025 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%