4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine

C28H30N2 — CID 169050144

IUPAC4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine
SMILESCC(C)(C)c1cc(-c2ccncc2)c2cc(C(C)(C)C)cc(-c3ccncc3)c2c1
InChIInChI=1S/C28H30N2/c1-27(2,3)21-15-23(19-7-11-29-12-8-19)26-18-22(28(4,5)6)16-24(25(26)17-21)20-9-13-30-14-10-20/h7-18H,1-6H3
InChIKeyAGLYJLGTJDSMLG-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.56
Rot. Bonds2

About 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine

4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine (PubChem CID 169050144) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine
PubChem CID169050144
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine
SMILESCC(C)(C)c1cc(-c2ccncc2)c2cc(C(C)(C)C)cc(-c3ccncc3)c2c1
InChIInChI=1S/C28H30N2/c1-27(2,3)21-15-23(19-7-11-29-12-8-19)26-18-22(28(4,5)6)16-24(25(26)17-21)20-9-13-30-14-10-20/h7-18H,1-6H3
InChIKeyAGLYJLGTJDSMLG-UHFFFAOYSA-N
XLogP7.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine?
The IUPAC name of 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine (CID 169050144) is 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine?
The canonical SMILES for 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine is CC(C)(C)c1cc(-c2ccncc2)c2cc(C(C)(C)C)cc(-c3ccncc3)c2c1.
What is the InChIKey of 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine?
The InChIKey is AGLYJLGTJDSMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-27(2,3)21-15-23(19-7-11-29-12-8-19)26-18-22(28(4,5)6)16-24(25(26)17-21)20-9-13-30-14-10-20/h7-18H,1-6H3.
What are the key properties of 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine?
4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine has a molecular weight of 394.56 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-ditert-butyl-5-pyridin-4-ylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 169050144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).