4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine

C24H21N3 — CID 177498154

IUPAC4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
SMILESCc1ccc(-c2cc(-c3cccc(C)n3)nc(-c3cccc(C)n3)c2)cc1
InChIInChI=1S/C24H21N3/c1-16-10-12-19(13-11-16)20-14-23(21-8-4-6-17(2)25-21)27-24(15-20)22-9-5-7-18(3)26-22/h4-15H,1-3H3
InChIKeySTVYRZCTISTHHB-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.80
Rot. Bonds3

About 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine

4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine (PubChem CID 177498154) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
PubChem CID177498154
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
SMILESCc1ccc(-c2cc(-c3cccc(C)n3)nc(-c3cccc(C)n3)c2)cc1
InChIInChI=1S/C24H21N3/c1-16-10-12-19(13-11-16)20-14-23(21-8-4-6-17(2)25-21)27-24(15-20)22-9-5-7-18(3)26-22/h4-15H,1-3H3
InChIKeySTVYRZCTISTHHB-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-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine?
The IUPAC name of 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine (CID 177498154) is 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine is Cc1ccc(-c2cc(-c3cccc(C)n3)nc(-c3cccc(C)n3)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine?
The InChIKey is STVYRZCTISTHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-16-10-12-19(13-11-16)20-14-23(21-8-4-6-17(2)25-21)27-24(15-20)22-9-5-7-18(3)26-22/h4-15H,1-3H3.
What are the key properties of 4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine?
4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)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-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 177498154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).