2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol

C37H32N4O2 — CID 145474640

About 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol

2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol (PubChem CID 145474640) has the molecular formula C37H32N4O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol.

Molecular Properties

• Compound Name: 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
• PubChem CID: 145474640
• Molecular Formula: C37H32N4O2
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.25
• IUPAC Name: 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
• SMILES: Cc1cc(-c2ccccn2)c(O)c(-c2cccc(-c3cccc(-c4cc(C(C)(C)C)cc(-c5ccccn5)c4O)n3)n2)c1
• InChI: InChI=1S/C37H32N4O2/c1-23-19-25(29-11-5-7-17-38-29)35(42)26(20-23)31-13-9-15-33(40-31)34-16-10-14-32(41-34)28-22-24(37(2,3)4)21-27(36(28)43)30-12-6-8-18-39-30/h5-22,42-43H,1-4H3
• InChIKey: QCUJPQGZGVXVSN-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 92.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol?

The IUPAC name of 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol (CID 145474640) is 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol.

What is the SMILES notation for 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol?

The canonical SMILES for 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol is Cc1cc(-c2ccccn2)c(O)c(-c2cccc(-c3cccc(-c4cc(C(C)(C)C)cc(-c5ccccn5)c4O)n3)n2)c1.

What is the InChIKey of 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol?

The InChIKey is QCUJPQGZGVXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O2/c1-23-19-25(29-11-5-7-17-38-29)35(42)26(20-23)31-13-9-15-33(40-31)34-16-10-14-32(41-34)28-22-24(37(2,3)4)21-27(36(28)43)30-12-6-8-18-39-30/h5-22,42-43H,1-4H3.

What are the key properties of 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol?

2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol has a molecular weight of 564.69 g/mol, XLogP of 8.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol is sourced from PubChem (CID 145474640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).