tris(naphthalen-2-yloxy)bismuthane

• ChemBase ID: 107022
• Molecular Formular: C30H21BiO3
• Molecular Mass: 638.46634
• Monoisotopic Mass: 638.12946753
• SMILES: O([Bi](Oc1cc2c(cccc2)cc1)Oc1cc2c(cccc2)cc1)c1cc2c(cccc2)cc1
• Canonical SMILES: c1ccc2c(c1)cc(cc2)O[Bi](Oc1ccc2c(c1)cccc2)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/3C10H8O.Bi/c3*11-10-6-5-8-3-1-2-4-9(8)7-10;/h3*1-7,11H;/q;;;+3/p-3
• InChIKey: GQMVAUFIUVHMBB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(naphthalen-2-yloxy)bismuthane
• IUPAC Traditional name: tris(naphthalen-2-yloxy)bismuthane
• Synonyms: BISMUTH-β-NAPHTHOL

Database IDs

• PubChem SID: 162105998
• PubChem CID: 16685021

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 8.7768
• LogD (pH = 7.4): 8.7768
• Log P: 8.7768
• Molar Refractivity: 129.8241 cm^3
• Polarizability: 61.11305 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false