2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine

C40H36N2O5 — CID 22020265

IUPAC2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine
SMILESc1ccc(Oc2ccc(CC(COCC(Cc3ccc(Oc4ccccc4)cc3)Oc3ccccn3)Oc3ccccn3)cc2)cc1
InChIInChI=1S/C40H36N2O5/c1-3-11-33(12-4-1)44-35-21-17-31(18-22-35)27-37(46-39-15-7-9-25-41-39)29-43-30-38(47-40-16-8-10-26-42-40)28-32-19-23-36(24-20-32)45-34-13-5-2-6-14-34/h1-26,37-38H,27-30H2
InChIKeyVGKMDFZYMJSWBT-UHFFFAOYSA-N
MW624.74 g/mol
LogP8.76
Rot. Bonds16

About 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine

2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine (PubChem CID 22020265) has the molecular formula C40H36N2O5 and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine
PubChem CID22020265
Molecular FormulaC40H36N2O5
Molecular Weight624.74 g/mol
Exact Mass624.26
IUPAC Name2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine
SMILESc1ccc(Oc2ccc(CC(COCC(Cc3ccc(Oc4ccccc4)cc3)Oc3ccccn3)Oc3ccccn3)cc2)cc1
InChIInChI=1S/C40H36N2O5/c1-3-11-33(12-4-1)44-35-21-17-31(18-22-35)27-37(46-39-15-7-9-25-41-39)29-43-30-38(47-40-16-8-10-26-42-40)28-32-19-23-36(24-20-32)45-34-13-5-2-6-14-34/h1-26,37-38H,27-30H2
InChIKeyVGKMDFZYMJSWBT-UHFFFAOYSA-N
XLogP8.76
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine?
The IUPAC name of 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine (CID 22020265) is 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine.
What is the SMILES notation for 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine?
The canonical SMILES for 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine is c1ccc(Oc2ccc(CC(COCC(Cc3ccc(Oc4ccccc4)cc3)Oc3ccccn3)Oc3ccccn3)cc2)cc1.
What is the InChIKey of 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine?
The InChIKey is VGKMDFZYMJSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O5/c1-3-11-33(12-4-1)44-35-21-17-31(18-22-35)27-37(46-39-15-7-9-25-41-39)29-43-30-38(47-40-16-8-10-26-42-40)28-32-19-23-36(24-20-32)45-34-13-5-2-6-14-34/h1-26,37-38H,27-30H2.
What are the key properties of 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine?
2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine has a molecular weight of 624.74 g/mol, XLogP of 8.76, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenoxyphenyl)-3-[3-(4-phenoxyphenyl)-2-pyridin-2-yloxypropoxy]propan-2-yl]oxypyridine is sourced from PubChem (CID 22020265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).