2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine

C24H20N2 — CID 134692019

IUPAC2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H20N2/c1-17-3-7-20(8-4-17)23-15-22(19-11-13-25-14-12-19)16-24(26-23)21-9-5-18(2)6-10-21/h3-16H,1-2H3
InChIKeyXWVASFZTYFAOSN-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.09
Rot. Bonds3

About 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine

2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine (PubChem CID 134692019) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
PubChem CID134692019
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H20N2/c1-17-3-7-20(8-4-17)23-15-22(19-11-13-25-14-12-19)16-24(26-23)21-9-5-18(2)6-10-21/h3-16H,1-2H3
InChIKeyXWVASFZTYFAOSN-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine?
The IUPAC name of 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine (CID 134692019) is 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine?
The canonical SMILES for 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine is Cc1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine?
The InChIKey is XWVASFZTYFAOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-17-3-7-20(8-4-17)23-15-22(19-11-13-25-14-12-19)16-24(26-23)21-9-5-18(2)6-10-21/h3-16H,1-2H3.
What are the key properties of 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine?
2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine has a molecular weight of 336.44 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine is sourced from PubChem (CID 134692019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).