2-{2-[2-(1H-inden-2-yl)phenyl]phenyl}-1H-indene

• ChemBase ID: 125191
• Molecular Formular: C30H22
• Molecular Mass: 382.49568
• Monoisotopic Mass: 382.1721507
• SMILES: c1cccc2c1CC(=C2)c1ccccc1c1ccccc1C1=Cc2ccccc2C1
• Canonical SMILES: c1ccc(c(c1)c1ccccc1C1=Cc2c(C1)cccc2)C1=Cc2c(C1)cccc2
• InChI: InChI=1S/C30H22/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26/h1-17,19H,18,20H2
• InChIKey: DGTWDUGCMACYFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(1H-inden-2-yl)phenyl]phenyl}-1H-indene
• IUPAC Traditional name: 2,2'-bis(2-indenyl) biphenyl
• Synonyms: 2,2'-Bis(2-indenyl) biphenyl

Database IDs

• CAS Number: 152952-99-3
• PubChem SID: 162219541
• PubChem CID: 11143444
• Chemspider ID: 9318556
• Wikipedia Title: 2,2'-Bis(2-indenyl)_biphenyl

CALCULATED PROPERTIES

• Acid pKa: 14.266717
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.109196
• LogD (pH = 7.4): 8.109196
• Log P: 8.109196
• Molar Refractivity: 127.9438 cm^3
• Polarizability: 50.2419 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false