hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)

C54H42F6O4Si3V — CID 88777449

IUPAChydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)
SMILESO=[V].O[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H13F3OSi.C18H16OSi.O.V/c2*19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-12,22H;1-15,19H;;
InChIKeyCUWYCRJUROUSCL-UHFFFAOYSA-N
MW1004.12 g/mol
LogP5.65
Rot. Bonds9

About hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)

hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane) (PubChem CID 88777449) has the molecular formula C54H42F6O4Si3V and a molecular weight of 1004.12 g/mol. Its IUPAC name is hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane).

Molecular Properties

Compound Namehydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)
PubChem CID88777449
Molecular FormulaC54H42F6O4Si3V
Molecular Weight1004.12 g/mol
Exact Mass1003.17
IUPAC Namehydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)
SMILESO=[V].O[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H13F3OSi.C18H16OSi.O.V/c2*19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-12,22H;1-15,19H;;
InChIKeyCUWYCRJUROUSCL-UHFFFAOYSA-N
XLogP5.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.12
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)?
The IUPAC name of hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane) (CID 88777449) is hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane).
What is the SMILES notation for hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)?
The canonical SMILES for hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane) is O=[V].O[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)?
The InChIKey is CUWYCRJUROUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13F3OSi.C18H16OSi.O.V/c2*19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-12,22H;1-15,19H;;.
What are the key properties of hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane)?
hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane) has a molecular weight of 1004.12 g/mol, XLogP of 5.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(triphenyl)silane;oxovanadium;bis(tris(4-fluorophenyl)-hydroxysilane) is sourced from PubChem (CID 88777449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).