4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine

C52H38N6O2 — CID 139192534

IUPAC4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12.COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12
InChIInChI=1S/2C26H19N3O/c2*1-30-26-13-12-19(20-8-2-3-9-21(20)26)18-16-24(22-10-4-6-14-27-22)29-25(17-18)23-11-5-7-15-28-23/h2*2-17H,1H3
InChIKeyJFWYNTUAGMSCEO-UHFFFAOYSA-N
MW778.92 g/mol
LogP12.07
Rot. Bonds8

About 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine

4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine (PubChem CID 139192534) has the molecular formula C52H38N6O2 and a molecular weight of 778.92 g/mol. Its IUPAC name is 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine
PubChem CID139192534
Molecular FormulaC52H38N6O2
Molecular Weight778.92 g/mol
Exact Mass778.31
IUPAC Name4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12.COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12
InChIInChI=1S/2C26H19N3O/c2*1-30-26-13-12-19(20-8-2-3-9-21(20)26)18-16-24(22-10-4-6-14-27-22)29-25(17-18)23-11-5-7-15-28-23/h2*2-17H,1H3
InChIKeyJFWYNTUAGMSCEO-UHFFFAOYSA-N
XLogP12.07
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
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CID 764198
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CID 4105676
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
[(2-Methoxy-1-naphthyl)methyl](2-pyridinylmethyl)amine hydrochloride
CID 2966632
1-[[3-[(6,7-Dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium diiodide
CID 23630699
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
3,8-Bis[[2-(3-methoxyphenyl)-4-pyridinyl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 44426627
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CID 132849958

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine (CID 139192534) is 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine is COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12.COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12.
What is the InChIKey of 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is JFWYNTUAGMSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19N3O/c2*1-30-26-13-12-19(20-8-2-3-9-21(20)26)18-16-24(22-10-4-6-14-27-22)29-25(17-18)23-11-5-7-15-28-23/h2*2-17H,1H3.
What are the key properties of 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine?
4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 778.92 g/mol, XLogP of 12.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 139192534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).