4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine

C36H32N6O2 — CID 15537346

IUPAC4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(OCCCCCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C36H32N6O2/c1(11-21-43-27-23-33(29-13-3-7-17-37-29)41-34(24-27)30-14-4-8-18-38-30)2-12-22-44-28-25-35(31-15-5-9-19-39-31)42-36(26-28)32-16-6-10-20-40-32/h3-10,13-20,23-26H,1-2,11-12,21-22H2
InChIKeyLYBSOILKGYOPEQ-UHFFFAOYSA-N
MW580.69 g/mol
LogP7.74
Rot. Bonds13

About 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine

4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine (PubChem CID 15537346) has the molecular formula C36H32N6O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine
PubChem CID15537346
Molecular FormulaC36H32N6O2
Molecular Weight580.69 g/mol
Exact Mass580.26
IUPAC Name4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(OCCCCCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C36H32N6O2/c1(11-21-43-27-23-33(29-13-3-7-17-37-29)41-34(24-27)30-14-4-8-18-38-30)2-12-22-44-28-25-35(31-15-5-9-19-39-31)42-36(26-28)32-16-6-10-20-40-32/h3-10,13-20,23-26H,1-2,11-12,21-22H2
InChIKeyLYBSOILKGYOPEQ-UHFFFAOYSA-N
XLogP7.74
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanimine
CID 16128661
1-Pentanamine, 5-([2,2':6',2''-terpyridin]-4'-yloxy)-
CID 11013075
Xofivgpuxalvcn-uhfffaoysa-
CID 11077609
4,4'-Diphenoxy-2,2'-bipyridine
CID 21259177
4'-((4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)oxy)-2,2':6',2''-terpyridine
CID 172011955
4-Methoxy-6-(pyridin-2-yl)-2,2'-bipyridine
CID 10825438
4-Prop-2-ynoxy-2,6-dipyridin-2-ylpyridine
CID 12977485
4-(Hexadecyloxy)-2,6-bis(pyridin-2-yl)pyridine
CID 14879097
4'-(2-Methoxyethoxy)-2,2':6',2"-terpyridine
CID 14879099
4-Propoxy-2,6-dipyridin-2-ylpyridine
CID 15902132
4-(5-Isocyanatopentoxy)-2,6-dipyridin-2-ylpyridine
CID 21594390

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine (CID 15537346) is 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(OCCCCCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine?
The InChIKey is LYBSOILKGYOPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O2/c1(11-21-43-27-23-33(29-13-3-7-17-37-29)41-34(24-27)30-14-4-8-18-38-30)2-12-22-44-28-25-35(31-15-5-9-19-39-31)42-36(26-28)32-16-6-10-20-40-32/h3-10,13-20,23-26H,1-2,11-12,21-22H2.
What are the key properties of 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine?
4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine has a molecular weight of 580.69 g/mol, XLogP of 7.74, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]hexoxy]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 15537346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).