4-(tributylstannyl)-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 64381
• Molecular Formular: C34H44N2Sn
• Molecular Mass: 599.42756
• Monoisotopic Mass: 600.25264342
• SMILES: n1(cc(nc1)[Sn](CCCC)(CCCC)CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCC[Sn](c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
• InChI: InChI=1S/C22H17N2.3C4H9.Sn/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;3*1-3-4-2;/h1-15,17-18H;3*1,3-4H2,2H3
• InChIKey: WGZVQAZCALOGIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 4-(tributylstannyl)-1-(triphenylmethyl)imidazole
• Synonyms: 4-(Tributylstannyl)-1-tritylimidazole

Database IDs

• CAS Number: 208934-35-4
• MDL Number: MFCD10699150
• PubChem SID: 162030120
• PubChem CID: 11828117

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.4710927
• LogD (pH = 7.4): 8.615545
• Log P: 8.918
• Molar Refractivity: 157.1052 cm^3
• Polarizability: 65.039444 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%