10-[tris(propan-2-yl)silyl]-10H-phenothiazine

• ChemBase ID: 84770
• Molecular Formular: C21H29NSSi
• Molecular Mass: 355.61216
• Monoisotopic Mass: 355.17899747
• SMILES: N1(c2ccccc2Sc2c1cccc2)[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](N1c2ccccc2Sc2c1cccc2)(C(C)C)C(C)C)C
• InChI: InChI=1S/C21H29NSSi/c1-15(2)24(16(3)4,17(5)6)22-18-11-7-9-13-20(18)23-21-14-10-8-12-19(21)22/h7-17H,1-6H3
• InChIKey: AMFVEBXDYMVBQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-[tris(propan-2-yl)silyl]-10H-phenothiazine
• IUPAC Traditional name: 10-(triisopropylsilyl)phenothiazine
• Synonyms: 10-(triisopropylsilyl)-10H-phenothiazine

Database IDs

• MDL Number: MFCD01566885
• PubChem SID: 162071886
• PubChem CID: 2794910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.0995
• LogD (pH = 7.4): 7.0995
• Log P: 7.0995
• Molar Refractivity: 115.3653 cm^3
• Polarizability: 42.935974 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false