bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene

C70H86N8 — CID 158263629

About bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene

bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene (PubChem CID 158263629) has the molecular formula C70H86N8 and a molecular weight of 1039.51 g/mol. Its IUPAC name is bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
• PubChem CID: 158263629
• Molecular Formula: C70H86N8
• Molecular Weight: 1039.51 g/mol
• Exact Mass: 1038.70
• IUPAC Name: bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
• SMILES: Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
• InChI: InChI=1S/C14H14.2C8H10.4C7H9N.2C6H8N2/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-7-6(2)8-4-5/h3-10H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: GIEFOJUUZKBITA-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.51
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene?

The IUPAC name of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene (CID 158263629) is bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene.

What is the SMILES notation for bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene?

The canonical SMILES for bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1.

What is the InChIKey of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene?

The InChIKey is GIEFOJUUZKBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2C8H10.4C7H9N.2C6H8N2/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-7-6(2)8-4-5/h3-10H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene?

bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene has a molecular weight of 1039.51 g/mol, XLogP of 17.56, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158263629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).