3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine

C46H37F3N2 — CID 59609354

About 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine

3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine (PubChem CID 59609354) has the molecular formula C46H37F3N2 and a molecular weight of 674.81 g/mol. Its IUPAC name is 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine.

Molecular Properties

• Compound Name: 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
• PubChem CID: 59609354
• Molecular Formula: C46H37F3N2
• Molecular Weight: 674.81 g/mol
• Exact Mass: 674.29
• IUPAC Name: 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
• SMILES: Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1
• InChI: InChI=1S/C46H37F3N2/c1-28-12-6-7-15-35(28)41-24-44(40-23-38(30(3)21-32(40)5)34-14-11-19-51-27-34)42(36-16-8-9-17-45(36)46(47,48)49)25-43(41)39-22-37(29(2)20-31(39)4)33-13-10-18-50-26-33/h6-27H,1-5H3
• InChIKey: OFKOHMNLCFIQNT-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.81
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

The IUPAC name of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine (CID 59609354) is 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine.

What is the SMILES notation for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

The canonical SMILES for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1.

What is the InChIKey of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

The InChIKey is OFKOHMNLCFIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37F3N2/c1-28-12-6-7-15-35(28)41-24-44(40-23-38(30(3)21-32(40)5)34-14-11-19-51-27-34)42(36-16-8-9-17-45(36)46(47,48)49)25-43(41)39-22-37(29(2)20-31(39)4)33-13-10-18-50-26-33/h6-27H,1-5H3.

What are the key properties of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine has a molecular weight of 674.81 g/mol, XLogP of 13.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine is sourced from PubChem (CID 59609354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).