2,6-bis[(tert-butyldiphenylsilyl)oxy]-9,10-dihydroanthracene-9,10-dione

• ChemBase ID: 85097
• Molecular Formular: C46H44O4Si2
• Molecular Mass: 717.01016
• Monoisotopic Mass: 716.27781295
• SMILES: [Si](c1ccccc1)(c1ccccc1)(Oc1cc2c(cc1)C(=O)c1cc(ccc1C2=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)C
• Canonical SMILES: O=C1c2ccc(cc2C(=O)c2c1cc(cc2)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C46H44O4Si2/c1-45(2,3)51(35-19-11-7-12-20-35,36-21-13-8-14-22-36)49-33-27-29-39-41(31-33)43(47)40-30-28-34(32-42(40)44(39)48)50-52(46(4,5)6,37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-32H,1-6H3
• InChIKey: ZGFREXSUGWTKFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis[(tert-butyldiphenylsilyl)oxy]-9,10-dihydroanthracene-9,10-dione
• IUPAC Traditional name: 2,6-bis[(tert-butyldiphenylsilyl)oxy]anthracene-9,10-dione
• Synonyms: 2,6-di{[1-(tert-butyl)-1,1-diphenylsilyl]oxy}-9,10-dihydroanthracene-9,10-dione

Database IDs

• MDL Number: MFCD00276675
• PubChem SID: 162072213
• PubChem CID: 2795123

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 12.6138
• LogD (pH = 7.4): 12.6138
• Log P: 12.6138
• Molar Refractivity: 203.5858 cm^3
• Polarizability: 83.70723 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false