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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Related Compounds

5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
3-N-methyl-5-phenylpyridine-2,3-diamine
CID 4121982
3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine
CID 175086759
2,6-ditert-butyl-4-phenylphosphinine
CID 624992
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole
CID 150662975
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
4-tert-butyl-5-phenyl-1,3-oxazole
CID 23542020
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331

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).