4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine

C24H21N3 — CID 132532788

IUPAC4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
SMILESCc1c(-c2ccncc2)c(C)c(-c2ccncc2)c(C)c1-c1ccncc1
InChIInChI=1S/C24H21N3/c1-16-22(19-4-10-25-11-5-19)17(2)24(21-8-14-27-15-9-21)18(3)23(16)20-6-12-26-13-7-20/h4-15H,1-3H3
InChIKeyVPXMOBBDEOKAOS-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.80
Rot. Bonds3

About 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine

4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine (PubChem CID 132532788) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
PubChem CID132532788
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
SMILESCc1c(-c2ccncc2)c(C)c(-c2ccncc2)c(C)c1-c1ccncc1
InChIInChI=1S/C24H21N3/c1-16-22(19-4-10-25-11-5-19)17(2)24(21-8-14-27-15-9-21)18(3)23(16)20-6-12-26-13-7-20/h4-15H,1-3H3
InChIKeyVPXMOBBDEOKAOS-UHFFFAOYSA-N
XLogP5.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine?
The IUPAC name of 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine (CID 132532788) is 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine?
The canonical SMILES for 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine is Cc1c(-c2ccncc2)c(C)c(-c2ccncc2)c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine?
The InChIKey is VPXMOBBDEOKAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-16-22(19-4-10-25-11-5-19)17(2)24(21-8-14-27-15-9-21)18(3)23(16)20-6-12-26-13-7-20/h4-15H,1-3H3.
What are the key properties of 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine?
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine has a molecular weight of 351.45 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 132532788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).