2-tert-butyl-3,5-diphenylpyridine

C21H21N — CID 167260640

IUPAC2-tert-butyl-3,5-diphenylpyridine
SMILESCC(C)(C)c1ncc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H21N/c1-21(2,3)20-19(17-12-8-5-9-13-17)14-18(15-22-20)16-10-6-4-7-11-16/h4-15H,1-3H3
InChIKeyTVMHJLDBMSBXEA-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.71
Rot. Bonds2

About 2-tert-butyl-3,5-diphenylpyridine

2-tert-butyl-3,5-diphenylpyridine (PubChem CID 167260640) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-tert-butyl-3,5-diphenylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3,5-diphenylpyridine
PubChem CID167260640
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-tert-butyl-3,5-diphenylpyridine
SMILESCC(C)(C)c1ncc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H21N/c1-21(2,3)20-19(17-12-8-5-9-13-17)14-18(15-22-20)16-10-6-4-7-11-16/h4-15H,1-3H3
InChIKeyTVMHJLDBMSBXEA-UHFFFAOYSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-diphenylpyridine?
The IUPAC name of 2-tert-butyl-3,5-diphenylpyridine (CID 167260640) is 2-tert-butyl-3,5-diphenylpyridine.
What is the SMILES notation for 2-tert-butyl-3,5-diphenylpyridine?
The canonical SMILES for 2-tert-butyl-3,5-diphenylpyridine is CC(C)(C)c1ncc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-3,5-diphenylpyridine?
The InChIKey is TVMHJLDBMSBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-21(2,3)20-19(17-12-8-5-9-13-17)14-18(15-22-20)16-10-6-4-7-11-16/h4-15H,1-3H3.
What are the key properties of 2-tert-butyl-3,5-diphenylpyridine?
2-tert-butyl-3,5-diphenylpyridine has a molecular weight of 287.41 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-diphenylpyridine is sourced from PubChem (CID 167260640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).