[2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene

C28H28O3P2 — CID 5040559

IUPAC[2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene
SMILESO=P(CCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O3P2/c29-32(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-21-31-22-24-33(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyVYTCFZJQVZHFPV-UHFFFAOYSA-N
MW474.48 g/mol
LogP5.03
Rot. Bonds10

About [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene

[2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene (PubChem CID 5040559) has the molecular formula C28H28O3P2 and a molecular weight of 474.48 g/mol. Its IUPAC name is [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene
PubChem CID5040559
Molecular FormulaC28H28O3P2
Molecular Weight474.48 g/mol
Exact Mass474.15
IUPAC Name[2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene
SMILESO=P(CCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O3P2/c29-32(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-21-31-22-24-33(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyVYTCFZJQVZHFPV-UHFFFAOYSA-N
XLogP5.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene (CID 5040559) is [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene is O=P(CCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene?
The InChIKey is VYTCFZJQVZHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O3P2/c29-32(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-21-31-22-24-33(30,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene?
[2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene has a molecular weight of 474.48 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphorylethoxy)ethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 5040559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).