4-(3,5-dimethylphenyl)-2,6-diphenylpyridine

C25H21N — CID 132529641

IUPAC4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
SMILESCc1cc(C)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H21N/c1-18-13-19(2)15-22(14-18)23-16-24(20-9-5-3-6-10-20)26-25(17-23)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyYHFPUBBQAOGDJZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.70
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine

4-(3,5-dimethylphenyl)-2,6-diphenylpyridine (PubChem CID 132529641) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
PubChem CID132529641
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
SMILESCc1cc(C)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H21N/c1-18-13-19(2)15-22(14-18)23-16-24(20-9-5-3-6-10-20)26-25(17-23)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyYHFPUBBQAOGDJZ-UHFFFAOYSA-N
XLogP6.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine?
The IUPAC name of 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine (CID 132529641) is 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine is Cc1cc(C)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine?
The InChIKey is YHFPUBBQAOGDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-18-13-19(2)15-22(14-18)23-16-24(20-9-5-3-6-10-20)26-25(17-23)21-11-7-4-8-12-21/h3-17H,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine?
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine has a molecular weight of 335.45 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2,6-diphenylpyridine is sourced from PubChem (CID 132529641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).