tribenzyl phosphite

C21H21O3P — CID 11810300

IUPACtribenzyl phosphite
SMILESc1ccc(COP(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C21H21O3P/c1-4-10-19(11-5-1)16-22-25(23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyKKFOMYPMTJLQGA-UHFFFAOYSA-N
MW352.37 g/mol
LogP5.86
Rot. Bonds9

About tribenzyl phosphite

tribenzyl phosphite (PubChem CID 11810300) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is tribenzyl phosphite.

Molecular Properties

Compound Nametribenzyl phosphite
PubChem CID11810300
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Nametribenzyl phosphite
SMILESc1ccc(COP(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C21H21O3P/c1-4-10-19(11-5-1)16-22-25(23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyKKFOMYPMTJLQGA-UHFFFAOYSA-N
XLogP5.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tribenzyl phosphite 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 tribenzyl phosphite?
The IUPAC name of tribenzyl phosphite (CID 11810300) is tribenzyl phosphite.
What is the SMILES notation for tribenzyl phosphite?
The canonical SMILES for tribenzyl phosphite is c1ccc(COP(OCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of tribenzyl phosphite?
The InChIKey is KKFOMYPMTJLQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-4-10-19(11-5-1)16-22-25(23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of tribenzyl phosphite?
tribenzyl phosphite has a molecular weight of 352.37 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl phosphite is sourced from PubChem (CID 11810300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).