2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol

C37H38N2O — CID 167332357

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol

2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol (PubChem CID 167332357) has the molecular formula C37H38N2O and a molecular weight of 526.72 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
• PubChem CID: 167332357
• Molecular Formula: C37H38N2O
• Molecular Weight: 526.72 g/mol
• Exact Mass: 526.30
• IUPAC Name: 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
• SMILES: Cc1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1
• InChI: InChI=1S/C37H38N2O/c1-24-15-16-38-32(17-24)25-11-10-12-26(18-25)33-21-28(22-34(39-33)31-13-8-9-14-35(31)40)27-19-29(36(2,3)4)23-30(20-27)37(5,6)7/h8-23,40H,1-7H3
• InChIKey: IYWNTHFMYMWJDJ-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.72
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol?

The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol (CID 167332357) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol.

What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol?

The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol is Cc1ccnc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccc4O)n3)c2)c1.

What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol?

The InChIKey is IYWNTHFMYMWJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O/c1-24-15-16-38-32(17-24)25-11-10-12-26(18-25)33-21-28(22-34(39-33)31-13-8-9-14-35(31)40)27-19-29(36(2,3)4)23-30(20-27)37(5,6)7/h8-23,40H,1-7H3.

What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol?

2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol has a molecular weight of 526.72 g/mol, XLogP of 9.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 167332357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).