3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol

C22H16N2O — CID 46887284

IUPAC3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)c2)c1
InChIInChI=1S/C22H16N2O/c25-20-8-4-7-18(13-20)19-14-21(16-5-2-1-3-6-16)24-22(15-19)17-9-11-23-12-10-17/h1-15,25H
InChIKeyDFVGOMXQSFFZEA-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.18
Rot. Bonds3

About 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol

3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol (PubChem CID 46887284) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol.

Molecular Properties

Compound Name3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
PubChem CID46887284
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)c2)c1
InChIInChI=1S/C22H16N2O/c25-20-8-4-7-18(13-20)19-14-21(16-5-2-1-3-6-16)24-22(15-19)17-9-11-23-12-10-17/h1-15,25H
InChIKeyDFVGOMXQSFFZEA-UHFFFAOYSA-N
XLogP5.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol?
The IUPAC name of 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol (CID 46887284) is 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol.
What is the SMILES notation for 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol?
The canonical SMILES for 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol is Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)c2)c1.
What is the InChIKey of 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol?
The InChIKey is DFVGOMXQSFFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-20-8-4-7-18(13-20)19-14-21(16-5-2-1-3-6-16)24-22(15-19)17-9-11-23-12-10-17/h1-15,25H.
What are the key properties of 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol?
3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol has a molecular weight of 324.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-6-pyridin-4-yl-4-pyridinyl)phenol is sourced from PubChem (CID 46887284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).