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

C32H24N6O2 — CID 86062380

IUPAC4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(OCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C32H24N6O2/c1-5-13-33-25(9-1)29-19-23(20-30(37-29)26-10-2-6-14-34-26)39-17-18-40-24-21-31(27-11-3-7-15-35-27)38-32(22-24)28-12-4-8-16-36-28/h1-16,19-22H,17-18H2
InChIKeyVCTCVBPKUOQBJJ-UHFFFAOYSA-N
MW524.58 g/mol
LogP6.18
Rot. Bonds9

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

4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine (PubChem CID 86062380) has the molecular formula C32H24N6O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine
PubChem CID86062380
Molecular FormulaC32H24N6O2
Molecular Weight524.58 g/mol
Exact Mass524.20
IUPAC Name4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(OCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C32H24N6O2/c1-5-13-33-25(9-1)29-19-23(20-30(37-29)26-10-2-6-14-34-26)39-17-18-40-24-21-31(27-11-3-7-15-35-27)38-32(22-24)28-12-4-8-16-36-28/h1-16,19-22H,17-18H2
InChIKeyVCTCVBPKUOQBJJ-UHFFFAOYSA-N
XLogP6.18
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine (CID 86062380) is 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(OCCOc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine?
The InChIKey is VCTCVBPKUOQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O2/c1-5-13-33-25(9-1)29-19-23(20-30(37-29)26-10-2-6-14-34-26)39-17-18-40-24-21-31(27-11-3-7-15-35-27)38-32(22-24)28-12-4-8-16-36-28/h1-16,19-22H,17-18H2.
What are the key properties of 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine?
4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine has a molecular weight of 524.58 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 86062380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).