4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine

C23H19N3 — CID 102129587

IUPAC4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1C
InChIInChI=1S/C23H19N3/c1-16-9-10-18(13-17(16)2)19-14-22(20-7-3-5-11-24-20)26-23(15-19)21-8-4-6-12-25-21/h3-15H,1-2H3
InChIKeyXIMUKQRRRZJNNV-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.49
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine

4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 102129587) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID102129587
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1C
InChIInChI=1S/C23H19N3/c1-16-9-10-18(13-17(16)2)19-14-22(20-7-3-5-11-24-20)26-23(15-19)21-8-4-6-12-25-21/h3-15H,1-2H3
InChIKeyXIMUKQRRRZJNNV-UHFFFAOYSA-N
XLogP5.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine (CID 102129587) is 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine is Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is XIMUKQRRRZJNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-16-9-10-18(13-17(16)2)19-14-22(20-7-3-5-11-24-20)26-23(15-19)21-8-4-6-12-25-21/h3-15H,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine?
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 337.43 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 102129587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).