4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine

C23H19N — CID 140733756

IUPAC4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
SMILESCc1cccc(C)c1-c1ccnc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H19N/c1-16-6-5-7-17(2)23(16)21-12-13-24-22(15-21)20-11-10-18-8-3-4-9-19(18)14-20/h3-15H,1-2H3
InChIKeyVNEAFHDVXWIJEP-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.19
Rot. Bonds2

About 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine

4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine (PubChem CID 140733756) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
PubChem CID140733756
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
SMILESCc1cccc(C)c1-c1ccnc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H19N/c1-16-6-5-7-17(2)23(16)21-12-13-24-22(15-21)20-11-10-18-8-3-4-9-19(18)14-20/h3-15H,1-2H3
InChIKeyVNEAFHDVXWIJEP-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine (CID 140733756) is 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine is Cc1cccc(C)c1-c1ccnc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine?
The InChIKey is VNEAFHDVXWIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-16-6-5-7-17(2)23(16)21-12-13-24-22(15-21)20-11-10-18-8-3-4-9-19(18)14-20/h3-15H,1-2H3.
What are the key properties of 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine?
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine has a molecular weight of 309.41 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine is sourced from PubChem (CID 140733756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).