5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine

C34H29ClF2N2 — CID 139429767

About 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine

5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine (PubChem CID 139429767) has the molecular formula C34H29ClF2N2 and a molecular weight of 539.07 g/mol. Its IUPAC name is 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

• Compound Name: 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine
• PubChem CID: 139429767
• Molecular Formula: C34H29ClF2N2
• Molecular Weight: 539.07 g/mol
• Exact Mass: 538.20
• IUPAC Name: 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine
• SMILES: Cc1cc(-c2ccc(F)cc2)ncc1CCc1cc(Cl)cc(CCc2cnc(-c3ccc(F)cc3)cc2C)c1
• InChI: InChI=1S/C34H29ClF2N2/c1-22-15-33(26-7-11-31(36)12-8-26)38-20-28(22)5-3-24-17-25(19-30(35)18-24)4-6-29-21-39-34(16-23(29)2)27-9-13-32(37)14-10-27/h7-21H,3-6H2,1-2H3
• InChIKey: CEFWTNHHHIYZKJ-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.07
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine?

The IUPAC name of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine (CID 139429767) is 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine.

What is the SMILES notation for 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine?

The canonical SMILES for 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(F)cc2)ncc1CCc1cc(Cl)cc(CCc2cnc(-c3ccc(F)cc3)cc2C)c1.

What is the InChIKey of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine?

The InChIKey is CEFWTNHHHIYZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClF2N2/c1-22-15-33(26-7-11-31(36)12-8-26)38-20-28(22)5-3-24-17-25(19-30(35)18-24)4-6-29-21-39-34(16-23(29)2)27-9-13-32(37)14-10-27/h7-21H,3-6H2,1-2H3.

What are the key properties of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine?

5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 539.07 g/mol, XLogP of 8.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-4-methyl-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 139429767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).