2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol

C28H20N2O2 — CID 153304016

IUPAC2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3ccccn3)c2)n1
InChIInChI=1S/C28H20N2O2/c31-27-14-5-4-13-24(27)26-19-22(20-9-2-1-3-10-20)18-25(30-26)21-11-8-12-23(17-21)32-28-15-6-7-16-29-28/h1-19,31H
InChIKeyPQKBWJKXXKYIGD-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.98
Rot. Bonds5

About 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol

2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol (PubChem CID 153304016) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
PubChem CID153304016
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC Name2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3ccccn3)c2)n1
InChIInChI=1S/C28H20N2O2/c31-27-14-5-4-13-24(27)26-19-22(20-9-2-1-3-10-20)18-25(30-26)21-11-8-12-23(17-21)32-28-15-6-7-16-29-28/h1-19,31H
InChIKeyPQKBWJKXXKYIGD-UHFFFAOYSA-N
XLogP6.98
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol (CID 153304016) is 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3ccccn3)c2)n1.
What is the InChIKey of 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol?
The InChIKey is PQKBWJKXXKYIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2/c31-27-14-5-4-13-24(27)26-19-22(20-9-2-1-3-10-20)18-25(30-26)21-11-8-12-23(17-21)32-28-15-6-7-16-29-28/h1-19,31H.
What are the key properties of 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol?
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol has a molecular weight of 416.48 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 153304016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).