4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine

C22H25NO — CID 10245408

IUPAC4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine
SMILESCOc1ccc(N2C=CC(C(C)(C)C)=CC2c2ccccc2)cc1
InChIInChI=1S/C22H25NO/c1-22(2,3)18-14-15-23(19-10-12-20(24-4)13-11-19)21(16-18)17-8-6-5-7-9-17/h5-16,21H,1-4H3
InChIKeyRZOSHSCDCPKROK-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.74
Rot. Bonds3

About 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine

4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine (PubChem CID 10245408) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine
PubChem CID10245408
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine
SMILESCOc1ccc(N2C=CC(C(C)(C)C)=CC2c2ccccc2)cc1
InChIInChI=1S/C22H25NO/c1-22(2,3)18-14-15-23(19-10-12-20(24-4)13-11-19)21(16-18)17-8-6-5-7-9-17/h5-16,21H,1-4H3
InChIKeyRZOSHSCDCPKROK-UHFFFAOYSA-N
XLogP5.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
CID 102163215
dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
CID 132557467
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
CID 71659072
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
4-[3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]benzoic acid
CID 50888067
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole
CID 139625776

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine (CID 10245408) is 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine is COc1ccc(N2C=CC(C(C)(C)C)=CC2c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine?
The InChIKey is RZOSHSCDCPKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-22(2,3)18-14-15-23(19-10-12-20(24-4)13-11-19)21(16-18)17-8-6-5-7-9-17/h5-16,21H,1-4H3.
What are the key properties of 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine?
4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine has a molecular weight of 319.45 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine is sourced from PubChem (CID 10245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).