4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine

C39H31N3O — CID 168763379

About 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine

4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine (PubChem CID 168763379) has the molecular formula C39H31N3O and a molecular weight of 557.70 g/mol. Its IUPAC name is 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine.

Molecular Properties

• Compound Name: 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
• PubChem CID: 168763379
• Molecular Formula: C39H31N3O
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.25
• IUPAC Name: 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
• SMILES: CN1C=CN(c2cccc(Oc3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)ccn4)c3)c2)C1
• InChI: InChI=1S/C39H31N3O/c1-41-22-23-42(28-41)34-15-9-17-36(27-34)43-35-16-8-14-33(24-35)39-26-32(20-21-40-39)37-19-18-31(29-10-4-2-5-11-29)25-38(37)30-12-6-3-7-13-30/h2-27H,28H2,1H3
• InChIKey: YVFVTJFHFTZCSV-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine?

The IUPAC name of 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine (CID 168763379) is 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine.

What is the SMILES notation for 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine?

The canonical SMILES for 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine is CN1C=CN(c2cccc(Oc3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)ccn4)c3)c2)C1.

What is the InChIKey of 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine?

The InChIKey is YVFVTJFHFTZCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3O/c1-41-22-23-42(28-41)34-15-9-17-36(27-34)43-35-16-8-14-33(24-35)39-26-32(20-21-40-39)37-19-18-31(29-10-4-2-5-11-29)25-38(37)30-12-6-3-7-13-30/h2-27H,28H2,1H3.

What are the key properties of 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine?

4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine has a molecular weight of 557.70 g/mol, XLogP of 9.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine is sourced from PubChem (CID 168763379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).