2-tert-butyl-9,10-bis(naphthalen-2-yl)anthracene

• ChemBase ID: 797060
• Molecular Formular: C38H30
• Molecular Mass: 486.6448
• Monoisotopic Mass: 486.23475096
• SMILES: c1ccc2c(c3ccc(cc3c(c2c1)c1ccc2c(cccc2)c1)C(C)(C)C)c1ccc2c(cccc2)c1
• Canonical SMILES: CC(c1ccc2c(c1)c(c1ccc3c(c1)cccc3)c1c(c2c2ccc3c(c2)cccc3)cccc1)(C)C
• InChI: InChI=1S/C38H30/c1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29/h4-24H,1-3H3
• InChIKey: OBAJPWYDYFEBTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-9,10-bis(naphthalen-2-yl)anthracene
• IUPAC Traditional name: 2-tert-butyl-9,10-bis(naphthalen-2-yl)anthracene
• Synonyms: 2-tert-Butyl-9,10-di(naphth-2-yl)anthracene

Database IDs

• CAS Number: 274905-73-6

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.770659
• LogD (pH = 7.4): 10.770659
• Log P: 10.770659
• Molar Refractivity: 160.7971 cm^3
• Polarizability: 70.73121 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%