2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine

C42H32N2O — CID 139363753

About 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine

2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine (PubChem CID 139363753) has the molecular formula C42H32N2O and a molecular weight of 580.73 g/mol. Its IUPAC name is 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
• PubChem CID: 139363753
• Molecular Formula: C42H32N2O
• Molecular Weight: 580.73 g/mol
• Exact Mass: 580.25
• IUPAC Name: 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
• SMILES: Cc1cccc(C)c1-c1cc(Oc2cccc(-c3ccccc3-c3ccccc3-c3ccccn3)c2)cc(-c2ccccn2)c1
• InChI: InChI=1S/C42H32N2O/c1-29-13-11-14-30(2)42(29)33-25-32(40-21-7-9-23-43-40)27-35(28-33)45-34-16-12-15-31(26-34)36-17-3-4-18-37(36)38-19-5-6-20-39(38)41-22-8-10-24-44-41/h3-28H,1-2H3
• InChIKey: YVHMBFRWJPLSKH-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.73
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine?

The IUPAC name of 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine (CID 139363753) is 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine is Cc1cccc(C)c1-c1cc(Oc2cccc(-c3ccccc3-c3ccccc3-c3ccccn3)c2)cc(-c2ccccn2)c1.

What is the InChIKey of 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine?

The InChIKey is YVHMBFRWJPLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O/c1-29-13-11-14-30(2)42(29)33-25-32(40-21-7-9-23-43-40)27-35(28-33)45-34-16-12-15-31(26-34)36-17-3-4-18-37(36)38-19-5-6-20-39(38)41-22-8-10-24-44-41/h3-28H,1-2H3.

What are the key properties of 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine?

2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine has a molecular weight of 580.73 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 139363753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).