bis(pyridine);zirconium(2+);diphenoxide

C22H20N2O2Zr — CID 173109932

IUPACbis(pyridine);zirconium(2+);diphenoxide
SMILES[O-]c1ccccc1.[O-]c1ccccc1.[Zr+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C6H6O.2C5H5N.Zr/c2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5,7H;2*1-5H;/q;;;;+2/p-2
InChIKeyHUMKULDXVIKGEU-UHFFFAOYSA-L
MW435.64 g/mol
LogP3.68
Rot. Bonds

About bis(pyridine);zirconium(2+);diphenoxide

bis(pyridine);zirconium(2+);diphenoxide (PubChem CID 173109932) has the molecular formula C22H20N2O2Zr and a molecular weight of 435.64 g/mol. Its IUPAC name is bis(pyridine);zirconium(2+);diphenoxide.

Molecular Properties

Compound Namebis(pyridine);zirconium(2+);diphenoxide
PubChem CID173109932
Molecular FormulaC22H20N2O2Zr
Molecular Weight435.64 g/mol
Exact Mass434.06
IUPAC Namebis(pyridine);zirconium(2+);diphenoxide
SMILES[O-]c1ccccc1.[O-]c1ccccc1.[Zr+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C6H6O.2C5H5N.Zr/c2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5,7H;2*1-5H;/q;;;;+2/p-2
InChIKeyHUMKULDXVIKGEU-UHFFFAOYSA-L
XLogP3.68
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.64
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(pyridine);zirconium(2+);diphenoxide?
The IUPAC name of bis(pyridine);zirconium(2+);diphenoxide (CID 173109932) is bis(pyridine);zirconium(2+);diphenoxide.
What is the SMILES notation for bis(pyridine);zirconium(2+);diphenoxide?
The canonical SMILES for bis(pyridine);zirconium(2+);diphenoxide is [O-]c1ccccc1.[O-]c1ccccc1.[Zr+2].c1ccncc1.c1ccncc1.
What is the InChIKey of bis(pyridine);zirconium(2+);diphenoxide?
The InChIKey is HUMKULDXVIKGEU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.2C5H5N.Zr/c2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5,7H;2*1-5H;/q;;;;+2/p-2.
What are the key properties of bis(pyridine);zirconium(2+);diphenoxide?
bis(pyridine);zirconium(2+);diphenoxide has a molecular weight of 435.64 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine);zirconium(2+);diphenoxide is sourced from PubChem (CID 173109932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).