4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine

C28H21N3O — CID 86064133

IUPAC4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCOc1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C28H21N3O/c1-32-24-13-11-20(12-14-24)21-7-6-8-22(17-21)23-18-27(25-9-2-4-15-29-25)31-28(19-23)26-10-3-5-16-30-26/h2-19H,1H3
InChIKeyDLLUOBYRCOIGLR-UHFFFAOYSA-N
MW415.50 g/mol
LogP6.55
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine

4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 86064133) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID86064133
Molecular FormulaC28H21N3O
Molecular Weight415.50 g/mol
Exact Mass415.17
IUPAC Name4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCOc1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c2)cc1
InChIInChI=1S/C28H21N3O/c1-32-24-13-11-20(12-14-24)21-7-6-8-22(17-21)23-18-27(25-9-2-4-15-29-25)31-28(19-23)26-10-3-5-16-30-26/h2-19H,1H3
InChIKeyDLLUOBYRCOIGLR-UHFFFAOYSA-N
XLogP6.55
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
[6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol
CID 21195138
5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline
CID 170556563
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
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-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine
CID 11099738

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 86064133) is 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine is COc1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is DLLUOBYRCOIGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O/c1-32-24-13-11-20(12-14-24)21-7-6-8-22(17-21)23-18-27(25-9-2-4-15-29-25)31-28(19-23)26-10-3-5-16-30-26/h2-19H,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 415.50 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 86064133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).