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 Name | 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol |
| PubChem CID | 153304016 |
| Molecular Formula | C28H20N2O2 |
| Molecular Weight | 416.48 g/mol |
| Exact Mass | 416.15 |
| IUPAC Name | 2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol |
| SMILES | Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3ccccn3)c2)n1 |
| InChI | 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 |
| InChIKey | PQKBWJKXXKYIGD-UHFFFAOYSA-N |
| XLogP | 6.98 |
| TPSA | 55.24 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 32 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 416.48 |
| LogP ≤ 5 | 6.98 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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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).