[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane

C48H38O2P2Si — CID 88865130

IUPAC[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H38O2P2Si/c49-51(39-22-8-1-9-23-39,40-24-10-2-11-25-40)43-36-44(52(50,41-26-12-3-13-27-41)42-28-14-4-15-29-42)38-48(37-43)53(45-30-16-5-17-31-45,46-32-18-6-19-33-46)47-34-20-7-21-35-47/h1-38H
InChIKeyXGWSPYRTEYJDRQ-UHFFFAOYSA-N
MW736.86 g/mol
LogP6.34
Rot. Bonds10

About [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane

[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane (PubChem CID 88865130) has the molecular formula C48H38O2P2Si and a molecular weight of 736.86 g/mol. Its IUPAC name is [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane
PubChem CID88865130
Molecular FormulaC48H38O2P2Si
Molecular Weight736.86 g/mol
Exact Mass736.21
IUPAC Name[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H38O2P2Si/c49-51(39-22-8-1-9-23-39,40-24-10-2-11-25-40)43-36-44(52(50,41-26-12-3-13-27-41)42-28-14-4-15-29-42)38-48(37-43)53(45-30-16-5-17-31-45,46-32-18-6-19-33-46)47-34-20-7-21-35-47/h1-38H
InChIKeyXGWSPYRTEYJDRQ-UHFFFAOYSA-N
XLogP6.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.86
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane?
The IUPAC name of [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane (CID 88865130) is [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane.
What is the SMILES notation for [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane?
The canonical SMILES for [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane is O=P(c1ccccc1)(c1ccccc1)c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane?
The InChIKey is XGWSPYRTEYJDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38O2P2Si/c49-51(39-22-8-1-9-23-39,40-24-10-2-11-25-40)43-36-44(52(50,41-26-12-3-13-27-41)42-28-14-4-15-29-42)38-48(37-43)53(45-30-16-5-17-31-45,46-32-18-6-19-33-46)47-34-20-7-21-35-47/h1-38H.
What are the key properties of [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane?
[3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane has a molecular weight of 736.86 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(diphenylphosphoryl)phenyl]-triphenylsilane is sourced from PubChem (CID 88865130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).