2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane

C41H40OP2Si — CID 163617305

IUPAC2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane
SMILESC=P(CC[Si](CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H40OP2Si/c1-43(36-20-8-2-9-21-36,37-22-10-3-11-23-37)32-34-45(40-28-16-6-17-29-40,41-30-18-7-19-31-41)35-33-44(42,38-24-12-4-13-25-38)39-26-14-5-15-27-39/h2-31H,1,32-35H2
InChIKeyIHRBPICMDLIXKW-UHFFFAOYSA-N
MW638.80 g/mol
LogP7.36
Rot. Bonds12

About 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane

2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane (PubChem CID 163617305) has the molecular formula C41H40OP2Si and a molecular weight of 638.80 g/mol. Its IUPAC name is 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane
PubChem CID163617305
Molecular FormulaC41H40OP2Si
Molecular Weight638.80 g/mol
Exact Mass638.23
IUPAC Name2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane
SMILESC=P(CC[Si](CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H40OP2Si/c1-43(36-20-8-2-9-21-36,37-22-10-3-11-23-37)32-34-45(40-28-16-6-17-29-40,41-30-18-7-19-31-41)35-33-44(42,38-24-12-4-13-25-38)39-26-14-5-15-27-39/h2-31H,1,32-35H2
InChIKeyIHRBPICMDLIXKW-UHFFFAOYSA-N
XLogP7.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.80
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane?
The IUPAC name of 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane (CID 163617305) is 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane.
What is the SMILES notation for 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane?
The canonical SMILES for 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane is C=P(CC[Si](CCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane?
The InChIKey is IHRBPICMDLIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40OP2Si/c1-43(36-20-8-2-9-21-36,37-22-10-3-11-23-37)32-34-45(40-28-16-6-17-29-40,41-30-18-7-19-31-41)35-33-44(42,38-24-12-4-13-25-38)39-26-14-5-15-27-39/h2-31H,1,32-35H2.
What are the key properties of 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane?
2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane has a molecular weight of 638.80 g/mol, XLogP of 7.36, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-diphenylphosphorylethyl(diphenyl)silyl]ethyl-methylidene-diphenyl-λ5-phosphane is sourced from PubChem (CID 163617305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).