2,3-diphenylprop-2-enenitrile

• ChemBase ID: 110351
• 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/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H
• InChIKey: VFOKYTYWXOYPOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenylprop-2-enenitrile
• IUPAC Traditional name: 2,3-diphenylprop-2-enenitrile
• Synonyms: 1-CYANO-1,2-DIPHENYL ETHYLENE; α-PHENYLCINNAMONITRILE

Database IDs

• CAS Number: 2510-95-4
• EC Number: 219-726-6
• PubChem SID: 162095800
• PubChem CID: 1268120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0287895
• LogD (pH = 7.4): 4.0287895
• Log P: 4.0287895
• Molar Refractivity: 66.4913 cm^3
• Polarizability: 25.27316 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AT6225000

DETAILS

MP Biomedicals - 05216685

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05214642

MP Biomedicals Rare Chemical collection