2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene

C86H88N2 — CID 158599025

About 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene

2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene (PubChem CID 158599025) has the molecular formula C86H88N2 and a molecular weight of 1167.77 g/mol. Its IUPAC name is 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene.

Molecular Properties

• Compound Name: 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene
• PubChem CID: 158599025
• Molecular Formula: C86H88N2
• Molecular Weight: 1167.77 g/mol
• Exact Mass: 1166.81
• IUPAC Name: 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene
• SMILES: Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccc2c(c1)C(C)(C)CC2(C)C.Cc1cccc(C)n1.Cc1ccccn1.[2H]c1c([2H])c([2H])c(-c2cc(C)cc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C)c([2H])c1[2H]
• InChI: InChI=1S/2C20H18.C19H16.C14H20.C7H9N.C6H7N/c1-15-8-6-11-18(14-15)20-13-7-12-19(16(20)2)17-9-4-3-5-10-17;1-15-8-10-18(11-9-15)20-13-16(2)12-19(14-20)17-6-4-3-5-7-17;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3;1-6-4-3-5-7(2)8-6;1-6-4-2-3-5-7-6/h2*3-14H,1-2H3;2-14H,1H3;6-8H,9H2,1-5H3;3-5H,1-2H3;2-5H,1H3/i3D,4D,5D,6D,8D,9D,10D,11D,14D;3D,4D,5D,6D,7D,8D,9D,10D,11D
• InChIKey: HVJYJQCDJXSYKN-ULVGKKFKSA-N
• XLogP: 23.65
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.77
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene?

The IUPAC name of 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene (CID 158599025) is 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene.

What is the SMILES notation for 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene?

The canonical SMILES for 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene is Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccc2c(c1)C(C)(C)CC2(C)C.Cc1cccc(C)n1.Cc1ccccn1.[2H]c1c([2H])c([2H])c(-c2cc(C)cc(-c3c([2H])c([2H])c(C)c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2C)c([2H])c1[2H].

What is the InChIKey of 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene?

The InChIKey is HVJYJQCDJXSYKN-ULVGKKFKSA-N. The full InChI is InChI=1S/2C20H18.C19H16.C14H20.C7H9N.C6H7N/c1-15-8-6-11-18(14-15)20-13-7-12-19(16(20)2)17-9-4-3-5-10-17;1-15-8-10-18(11-9-15)20-13-16(2)12-19(14-20)17-6-4-3-5-7-17;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3;1-6-4-3-5-7(2)8-6;1-6-4-2-3-5-7-6/h2*3-14H,1-2H3;2-14H,1H3;6-8H,9H2,1-5H3;3-5H,1-2H3;2-5H,1H3/i3D,4D,5D,6D,8D,9D,10D,11D,14D;3D,4D,5D,6D,7D,8D,9D,10D,11D;;;;.

What are the key properties of 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene?

2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene has a molecular weight of 1167.77 g/mol, XLogP of 23.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethylpyridine;1-methyl-3,5-diphenylbenzene;2-methylpyridine;1,2,3,4,5-pentadeuterio-6-[2-methyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]benzene;1,2,3,4,5-pentadeuterio-6-[3-methyl-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]benzene;1,1,3,3,5-pentamethyl-2H-indene is sourced from PubChem (CID 158599025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).