oxo-bis(triphenoxysilyloxy)phosphanium

C36H30O9PSi2+ — CID 69191290

IUPACoxo-bis(triphenoxysilyloxy)phosphanium
SMILESO=[P+](O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H30O9PSi2/c37-46(44-47(38-31-19-7-1-8-20-31,39-32-21-9-2-10-22-32)40-33-23-11-3-12-24-33)45-48(41-34-25-13-4-14-26-34,42-35-27-15-5-16-28-35)43-36-29-17-6-18-30-36/h1-30H/q+1
InChIKeyPICACTAOQVDUKO-UHFFFAOYSA-N
MW693.77 g/mol
LogP9.02
Rot. Bonds16

About oxo-bis(triphenoxysilyloxy)phosphanium

oxo-bis(triphenoxysilyloxy)phosphanium (PubChem CID 69191290) has the molecular formula C36H30O9PSi2+ and a molecular weight of 693.77 g/mol. Its IUPAC name is oxo-bis(triphenoxysilyloxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(triphenoxysilyloxy)phosphanium
PubChem CID69191290
Molecular FormulaC36H30O9PSi2+
Molecular Weight693.77 g/mol
Exact Mass693.12
IUPAC Nameoxo-bis(triphenoxysilyloxy)phosphanium
SMILESO=[P+](O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H30O9PSi2/c37-46(44-47(38-31-19-7-1-8-20-31,39-32-21-9-2-10-22-32)40-33-23-11-3-12-24-33)45-48(41-34-25-13-4-14-26-34,42-35-27-15-5-16-28-35)43-36-29-17-6-18-30-36/h1-30H/q+1
InChIKeyPICACTAOQVDUKO-UHFFFAOYSA-N
XLogP9.02
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.77
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(triphenoxysilyloxy)phosphanium?
The IUPAC name of oxo-bis(triphenoxysilyloxy)phosphanium (CID 69191290) is oxo-bis(triphenoxysilyloxy)phosphanium.
What is the SMILES notation for oxo-bis(triphenoxysilyloxy)phosphanium?
The canonical SMILES for oxo-bis(triphenoxysilyloxy)phosphanium is O=[P+](O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of oxo-bis(triphenoxysilyloxy)phosphanium?
The InChIKey is PICACTAOQVDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O9PSi2/c37-46(44-47(38-31-19-7-1-8-20-31,39-32-21-9-2-10-22-32)40-33-23-11-3-12-24-33)45-48(41-34-25-13-4-14-26-34,42-35-27-15-5-16-28-35)43-36-29-17-6-18-30-36/h1-30H/q+1.
What are the key properties of oxo-bis(triphenoxysilyloxy)phosphanium?
oxo-bis(triphenoxysilyloxy)phosphanium has a molecular weight of 693.77 g/mol, XLogP of 9.02, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(triphenoxysilyloxy)phosphanium is sourced from PubChem (CID 69191290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).