[(tetraphenoxytantalio)oxy]benzene

• ChemBase ID: 112415
• Molecular Formular: C30H25O5Ta
• Molecular Mass: 646.4644
• Monoisotopic Mass: 646.1181939
• SMILES: O(c1ccccc1)[Ta](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)O[Ta](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/5C6H6O.Ta/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;/q;;;;;+5/p-5
• InChIKey: TULPIGUCPSGZIA-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: [(tetraphenoxytantalio)oxy]benzene
• IUPAC Traditional name: [(tetraphenoxytantalio)oxy]benzene
• Synonyms: TANTALUM PENTA PHENOXIDE

Database IDs

• PubChem SID: 162106670
• PubChem CID: 19915613

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 9.367
• LogD (pH = 7.4): 9.367
• Log P: 9.367
• Molar Refractivity: 134.1225 cm^3
• Polarizability: 59.36796 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223798

MP Biomedicals Rare Chemical collection