[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium

C36H29O3P2+ — CID 163566769

IUPAC[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H29O3P2/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37H/q+1
InChIKeyFVWNIKBTSFSLMW-UHFFFAOYSA-N
MW571.57 g/mol
LogP6.32
Rot. Bonds8

About [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium

[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium (PubChem CID 163566769) has the molecular formula C36H29O3P2+ and a molecular weight of 571.57 g/mol. Its IUPAC name is [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium.

Molecular Properties

Compound Name[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium
PubChem CID163566769
Molecular FormulaC36H29O3P2+
Molecular Weight571.57 g/mol
Exact Mass571.16
IUPAC Name[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H29O3P2/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37H/q+1
InChIKeyFVWNIKBTSFSLMW-UHFFFAOYSA-N
XLogP6.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium?
The IUPAC name of [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium (CID 163566769) is [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium.
What is the SMILES notation for [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium?
The canonical SMILES for [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium is O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1[P+](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium?
The InChIKey is FVWNIKBTSFSLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29O3P2/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37H/q+1.
What are the key properties of [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium?
[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium has a molecular weight of 571.57 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium is sourced from PubChem (CID 163566769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).