1,1,1,5,5,5-hexaphenyl-3-[(triphenylsilyl)oxy]-2,4-dioxa-1,5-disila-3-molybdapentan-3-amine; pyridine

• ChemBase ID: 142820
• Molecular Formular: C59H50MoN2O3Si3
• Molecular Mass: 1015.2564
• Monoisotopic Mass: 1016.21833107
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O[Mo](#N)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccncc1
• Canonical SMILES: c1cccnc1.N#[Mo](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C18H15OSi.C5H5N.Mo.N/c3*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h3*1-15H;1-5H;;/q3*-1;;+3
• InChIKey: OCTCTAQZWWKMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,5,5,5-hexaphenyl-3-[(triphenylsilyl)oxy]-2,4-dioxa-1,5-disila-3-molybdapentan-3-amine; pyridine
• IUPAC Traditional name: 1,1,1,5,5,5-hexaphenyl-3-[(triphenylsilyl)oxy]-2,4-dioxa-1,5-disila-3-molybdapentan-3-amine; pyridine
• Synonyms: Tris(triphenylsilyloxy)molybdenum nitride pyridine complex; Molybdenum nitride tris-triphenylsilyloxide pyridine complex; 三(三苯基硅氧基)氮化钼吡啶络合物; 氮化钼三(三苯基硅氧基)吡啶络合物

Database IDs

• CAS Number: 1172596-22-3
• MDL Number: MFCD15144885
• PubChem SID: 162237046
• PubChem CID: 71310787

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 16.9644
• LogD (pH = 7.4): 16.9644
• Log P: 16.9644
• Molar Refractivity: 246.4342 cm^3
• Polarizability: 103.270294 Å^3
• Polar Surface Area: 51.48 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 189-191 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26

Product Information

• Purity: ≥95%
• Empirical Formula (Hill Notation): C59H50MoN2O3Si3

DETAILS

Sigma Aldrich - 719684

Packaging
100 mg in glass bottle