9,10-diphenyl-1,2,9,10-tetrahydrophenanthrene-9,10-diol

• ChemBase ID: 107128
• Molecular Formular: C26H22O2
• Molecular Mass: 366.45168
• Monoisotopic Mass: 366.16197994
• SMILES: OC1(c2ccccc2)C2=C(C=CCC2)c2ccccc2C1(O)c1ccccc1
• Canonical SMILES: OC1(c2ccccc2)C2=C(C=CCC2)c2c(C1(O)c1ccccc1)cccc2
• InChI: InChI=1S/C26H22O2/c27-25(19-11-3-1-4-12-19)23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25,28)20-13-5-2-6-14-20/h1-9,11-17,27-28H,10,18H2
• InChIKey: CKSNNXQECQKLHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-diphenyl-1,2,9,10-tetrahydrophenanthrene-9,10-diol
• IUPAC Traditional name: 9,10-diphenyl-1,2-dihydrophenanthrene-9,10-diol
• Synonyms: TRANS-9,10-DIPHENYLDIHYDROPHENANTHRENE-9,10-DIOL

Database IDs

• PubChem SID: 162105999
• PubChem CID: 44135549

CALCULATED PROPERTIES

• Acid pKa: 11.886666
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.760481
• LogD (pH = 7.4): 4.7604666
• Log P: 4.760481
• Molar Refractivity: 113.6656 cm^3
• Polarizability: 43.673195 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202674

MP Biomedicals Rare Chemical collection