1-(naphthalen-1-yl)naphthalene

• ChemBase ID: 111776
• Molecular Formular: C20H14
• Molecular Mass: 254.32516
• Monoisotopic Mass: 254.10955045
• SMILES: c1ccc2c(cccc2c2cccc3c2cccc3)c1
• Canonical SMILES: c1ccc2c(c1)c(ccc2)c1cccc2c1cccc2
• InChI: InChI=1S/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
• InChIKey: ZDZHCHYQNPQSGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-yl)naphthalene
• IUPAC Traditional name: 1,1'-binaphthalene
• Synonyms: α,α'-DINAPHTHYLENE; 1,1'-Binaphthalene

Database IDs

• CAS Number: 604-53-5
• MDL Number: MFCD00041740
• PubChem SID: 162098120
• PubChem CID: 11789

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.599425
• LogD (pH = 7.4): 5.599425
• Log P: 5.599425
• Molar Refractivity: 84.0946 cm^3
• Polarizability: 36.933796 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05220894

MP Biomedicals Rare Chemical collection