2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol

C34H40N3O2P — CID 132571129

IUPAC2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol
SMILESCC(C)(C)c1cc(C(c2ccccn2)P2(=O)N(c3ccccc3)CCN2c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H40N3O2P/c1-33(2,3)28-23-25(24-29(31(28)38)34(4,5)6)32(30-19-13-14-20-35-30)40(39)36(26-15-9-7-10-16-26)21-22-37(40)27-17-11-8-12-18-27/h7-20,23-24,32,38H,21-22H2,1-6H3
InChIKeyQPFGBGJFXRHANA-UHFFFAOYSA-N
MW553.69 g/mol
LogP8.69
Rot. Bonds5

About 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol

2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol (PubChem CID 132571129) has the molecular formula C34H40N3O2P and a molecular weight of 553.69 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol
PubChem CID132571129
Molecular FormulaC34H40N3O2P
Molecular Weight553.69 g/mol
Exact Mass553.29
IUPAC Name2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol
SMILESCC(C)(C)c1cc(C(c2ccccn2)P2(=O)N(c3ccccc3)CCN2c2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H40N3O2P/c1-33(2,3)28-23-25(24-29(31(28)38)34(4,5)6)32(30-19-13-14-20-35-30)40(39)36(26-15-9-7-10-16-26)21-22-37(40)27-17-11-8-12-18-27/h7-20,23-24,32,38H,21-22H2,1-6H3
InChIKeyQPFGBGJFXRHANA-UHFFFAOYSA-N
XLogP8.69
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol 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 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol (CID 132571129) is 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol is CC(C)(C)c1cc(C(c2ccccn2)P2(=O)N(c3ccccc3)CCN2c2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol?
The InChIKey is QPFGBGJFXRHANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N3O2P/c1-33(2,3)28-23-25(24-29(31(28)38)34(4,5)6)32(30-19-13-14-20-35-30)40(39)36(26-15-9-7-10-16-26)21-22-37(40)27-17-11-8-12-18-27/h7-20,23-24,32,38H,21-22H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol?
2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol has a molecular weight of 553.69 g/mol, XLogP of 8.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 132571129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).