2,2-diphenylcyclopropane-1-carbonitrile

• ChemBase ID: 290063
• Molecular Formular: C16H13N
• Molecular Mass: 219.28112
• Monoisotopic Mass: 219.10479942
• SMILES: N#CC1C(c2ccccc2)(c2ccccc2)C1
• Canonical SMILES: N#CC1CC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H13N/c17-12-15-11-16(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
• InChIKey: DHLFXGMJDRNWME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylcyclopropane-1-carbonitrile
• IUPAC Traditional name: 2,2-diphenylcyclopropane-1-carbonitrile
• Synonyms: 2,2-Diphenylcyclopropanecarbonitrile

Database IDs

• CAS Number: 30932-41-3
• PubChem SID: 180675594
• PubChem CID: 98397

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4690735
• LogD (pH = 7.4): 3.4690735
• Log P: 3.4690735
• Molar Refractivity: 78.7303 cm^3
• Polarizability: 26.456337 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%