2,6-bis(2-pyridin-2-ylphenyl)phenol

C28H20N2O — CID 175876654

IUPAC2,6-bis(2-pyridin-2-ylphenyl)phenol
SMILESOc1c(-c2ccccc2-c2ccccn2)cccc1-c1ccccc1-c1ccccn1
InChIInChI=1S/C28H20N2O/c31-28-24(20-10-1-3-12-22(20)26-16-5-7-18-29-26)14-9-15-25(28)21-11-2-4-13-23(21)27-17-6-8-19-30-27/h1-19,31H
InChIKeyMOFSHAGLTWHKLF-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.85
Rot. Bonds4

About 2,6-bis(2-pyridin-2-ylphenyl)phenol

2,6-bis(2-pyridin-2-ylphenyl)phenol (PubChem CID 175876654) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 2,6-bis(2-pyridin-2-ylphenyl)phenol.

Molecular Properties

Compound Name2,6-bis(2-pyridin-2-ylphenyl)phenol
PubChem CID175876654
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name2,6-bis(2-pyridin-2-ylphenyl)phenol
SMILESOc1c(-c2ccccc2-c2ccccn2)cccc1-c1ccccc1-c1ccccn1
InChIInChI=1S/C28H20N2O/c31-28-24(20-10-1-3-12-22(20)26-16-5-7-18-29-26)14-9-15-25(28)21-11-2-4-13-23(21)27-17-6-8-19-30-27/h1-19,31H
InChIKeyMOFSHAGLTWHKLF-UHFFFAOYSA-N
XLogP6.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-bis(2-pyridin-2-ylphenyl)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-bis(2-pyridin-2-ylphenyl)phenol?
The IUPAC name of 2,6-bis(2-pyridin-2-ylphenyl)phenol (CID 175876654) is 2,6-bis(2-pyridin-2-ylphenyl)phenol.
What is the SMILES notation for 2,6-bis(2-pyridin-2-ylphenyl)phenol?
The canonical SMILES for 2,6-bis(2-pyridin-2-ylphenyl)phenol is Oc1c(-c2ccccc2-c2ccccn2)cccc1-c1ccccc1-c1ccccn1.
What is the InChIKey of 2,6-bis(2-pyridin-2-ylphenyl)phenol?
The InChIKey is MOFSHAGLTWHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c31-28-24(20-10-1-3-12-22(20)26-16-5-7-18-29-26)14-9-15-25(28)21-11-2-4-13-23(21)27-17-6-8-19-30-27/h1-19,31H.
What are the key properties of 2,6-bis(2-pyridin-2-ylphenyl)phenol?
2,6-bis(2-pyridin-2-ylphenyl)phenol has a molecular weight of 400.48 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-pyridin-2-ylphenyl)phenol is sourced from PubChem (CID 175876654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).