1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine

C86H77F2N5 — CID 158405395

About 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine

1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine (PubChem CID 158405395) has the molecular formula C86H77F2N5 and a molecular weight of 1218.59 g/mol. Its IUPAC name is 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine.

Molecular Properties

• Compound Name: 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine
• PubChem CID: 158405395
• Molecular Formula: C86H77F2N5
• Molecular Weight: 1218.59 g/mol
• Exact Mass: 1217.61
• IUPAC Name: 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine
• SMILES: Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2cccc(F)c2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1cccc(-c2ccccc2)n1.Cc1ccccc1-c1cccnc1.Cc1ccnc(-c2ccccc2)c1
• InChI: InChI=1S/2C13H11F.5C12H11N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;2*1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2*2-9H,1H3;5*2-9H,1H3
• InChIKey: GYPWTYSKZIISPS-UHFFFAOYSA-N
• XLogP: 22.89
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1218.59
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine?

The IUPAC name of 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine (CID 158405395) is 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine.

What is the SMILES notation for 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine?

The canonical SMILES for 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine is Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2cccc(F)c2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1cccc(-c2ccccc2)n1.Cc1ccccc1-c1cccnc1.Cc1ccnc(-c2ccccc2)c1.

What is the InChIKey of 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine?

The InChIKey is GYPWTYSKZIISPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11F.5C12H11N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;2*1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2*2-9H,1H3;5*2-9H,1H3.

What are the key properties of 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine?

1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine has a molecular weight of 1218.59 g/mol, XLogP of 22.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine is sourced from PubChem (CID 158405395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).