3,3-diphenylprop-2-enenitrile

• ChemBase ID: 286754
• Molecular Formular: C15H11N
• Molecular Mass: 205.25454
• Monoisotopic Mass: 205.08914936
• SMILES: N#C/C=C(\c1ccccc1)/c1ccccc1
• Canonical SMILES: N#C/C=C(\c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C15H11N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H
• InChIKey: RDGWQFSLTSPRBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diphenylprop-2-enenitrile
• IUPAC Traditional name: 3,3-diphenylprop-2-enenitrile
• Synonyms: B-Phenylcinnamonitrile

Database IDs

• CAS Number: 34770-60-0; 3531-24-6
• PubChem SID: 180672285
• PubChem CID: 274352

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7939005
• LogD (pH = 7.4): 3.7939005
• Log P: 3.7939005
• Molar Refractivity: 75.5919 cm^3
• Polarizability: 25.193983 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%