3,4-dibenzyl-2,6-dimethylpyridine

C21H21N — CID 139645873

IUPAC3,4-dibenzyl-2,6-dimethylpyridine
SMILESCc1cc(Cc2ccccc2)c(Cc2ccccc2)c(C)n1
InChIInChI=1S/C21H21N/c1-16-13-20(14-18-9-5-3-6-10-18)21(17(2)22-16)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3
InChIKeyRMBORHLXVOCDEC-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.88
Rot. Bonds4

About 3,4-dibenzyl-2,6-dimethylpyridine

3,4-dibenzyl-2,6-dimethylpyridine (PubChem CID 139645873) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 3,4-dibenzyl-2,6-dimethylpyridine.

Molecular Properties

Compound Name3,4-dibenzyl-2,6-dimethylpyridine
PubChem CID139645873
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name3,4-dibenzyl-2,6-dimethylpyridine
SMILESCc1cc(Cc2ccccc2)c(Cc2ccccc2)c(C)n1
InChIInChI=1S/C21H21N/c1-16-13-20(14-18-9-5-3-6-10-18)21(17(2)22-16)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3
InChIKeyRMBORHLXVOCDEC-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzyl-2,6-dimethylpyridine?
The IUPAC name of 3,4-dibenzyl-2,6-dimethylpyridine (CID 139645873) is 3,4-dibenzyl-2,6-dimethylpyridine.
What is the SMILES notation for 3,4-dibenzyl-2,6-dimethylpyridine?
The canonical SMILES for 3,4-dibenzyl-2,6-dimethylpyridine is Cc1cc(Cc2ccccc2)c(Cc2ccccc2)c(C)n1.
What is the InChIKey of 3,4-dibenzyl-2,6-dimethylpyridine?
The InChIKey is RMBORHLXVOCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-16-13-20(14-18-9-5-3-6-10-18)21(17(2)22-16)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 3,4-dibenzyl-2,6-dimethylpyridine?
3,4-dibenzyl-2,6-dimethylpyridine has a molecular weight of 287.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzyl-2,6-dimethylpyridine is sourced from PubChem (CID 139645873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).