5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine

C49H37FN2 — CID 169048456

About 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine

5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine (PubChem CID 169048456) has the molecular formula C49H37FN2 and a molecular weight of 676.87 g/mol. Its IUPAC name is 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine.

Molecular Properties

• Compound Name: 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
• PubChem CID: 169048456
• Molecular Formula: C49H37FN2
• Molecular Weight: 676.87 g/mol
• Exact Mass: 676.32
• IUPAC Name: 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
• SMILES: [2H]C([2H])(c1ccc(-c2ccccc2)nc1)C([2H])([2H])c1cc(C)cc(-c2cc(F)ccc2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C49H37FN2/c1-34-27-36(18-17-35-19-26-48(51-32-35)40-13-7-3-8-14-40)29-42(28-34)45-30-43(50)24-25-44(45)47-33-52-49(41-15-9-4-10-16-41)31-46(47)39-22-20-38(21-23-39)37-11-5-2-6-12-37/h2-16,19-33H,17-18H2,1H3/i17D2,18D2
• InChIKey: URLIOKBGQZGGHT-DBTGQBASSA-N
• XLogP: 12.71
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.87
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?

The IUPAC name of 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine (CID 169048456) is 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine.

What is the SMILES notation for 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?

The canonical SMILES for 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine is [2H]C([2H])(c1ccc(-c2ccccc2)nc1)C([2H])([2H])c1cc(C)cc(-c2cc(F)ccc2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?

The InChIKey is URLIOKBGQZGGHT-DBTGQBASSA-N. The full InChI is InChI=1S/C49H37FN2/c1-34-27-36(18-17-35-19-26-48(51-32-35)40-13-7-3-8-14-40)29-42(28-34)45-30-43(50)24-25-44(45)47-33-52-49(41-15-9-4-10-16-41)31-46(47)39-22-20-38(21-23-39)37-11-5-2-6-12-37/h2-16,19-33H,17-18H2,1H3/i17D2,18D2.

What are the key properties of 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?

5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine has a molecular weight of 676.87 g/mol, XLogP of 12.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 169048456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).