2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine

C35H24Cl2F2N4 — CID 159002978

About 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine

2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine (PubChem CID 159002978) has the molecular formula C35H24Cl2F2N4 and a molecular weight of 609.51 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine.

Molecular Properties

• Compound Name: 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine
• PubChem CID: 159002978
• Molecular Formula: C35H24Cl2F2N4
• Molecular Weight: 609.51 g/mol
• Exact Mass: 608.13
• IUPAC Name: 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine
• SMILES: CC(C)(c1cc(-c2ccccc2)cc(-c2ccc(F)nc2F)n1)c1cc(-c2ccccc2)cc(-c2ccc(Cl)nc2Cl)n1
• InChI: InChI=1S/C35H24Cl2F2N4/c1-35(2,29-19-23(21-9-5-3-6-10-21)17-27(40-29)25-13-15-31(36)42-33(25)37)30-20-24(22-11-7-4-8-12-22)18-28(41-30)26-14-16-32(38)43-34(26)39/h3-20H,1-2H3
• InChIKey: MLRQGQKHRNHBCL-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.51
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine?

The IUPAC name of 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine (CID 159002978) is 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine.

What is the SMILES notation for 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine?

The canonical SMILES for 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine is CC(C)(c1cc(-c2ccccc2)cc(-c2ccc(F)nc2F)n1)c1cc(-c2ccccc2)cc(-c2ccc(Cl)nc2Cl)n1.

What is the InChIKey of 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine?

The InChIKey is MLRQGQKHRNHBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24Cl2F2N4/c1-35(2,29-19-23(21-9-5-3-6-10-21)17-27(40-29)25-13-15-31(36)42-33(25)37)30-20-24(22-11-7-4-8-12-22)18-28(41-30)26-14-16-32(38)43-34(26)39/h3-20H,1-2H3.

What are the key properties of 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine?

2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine has a molecular weight of 609.51 g/mol, XLogP of 9.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dichloro-3-pyridinyl)-6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-4-phenylpyridine is sourced from PubChem (CID 159002978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).