niobium(5+) pentaphenoxide

C30H25NbO5 — CID 25021451

IUPACniobium(5+) pentaphenoxide
SMILES[Nb+5].[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/5C6H6O.Nb/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;/q;;;;;+5/p-5
InChIKeyZCNDFHXTXLMYDM-UHFFFAOYSA-I
MW558.43 g/mol
LogP3.80
Rot. Bonds

About niobium(5+) pentaphenoxide

niobium(5+) pentaphenoxide (PubChem CID 25021451) has the molecular formula C30H25NbO5 and a molecular weight of 558.43 g/mol. Its IUPAC name is niobium(5+) pentaphenoxide.

Molecular Properties

Compound Nameniobium(5+) pentaphenoxide
PubChem CID25021451
Molecular FormulaC30H25NbO5
Molecular Weight558.43 g/mol
Exact Mass558.08
IUPAC Nameniobium(5+) pentaphenoxide
SMILES[Nb+5].[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/5C6H6O.Nb/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;/q;;;;;+5/p-5
InChIKeyZCNDFHXTXLMYDM-UHFFFAOYSA-I
XLogP3.80
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of niobium(5+) pentaphenoxide?
The IUPAC name of niobium(5+) pentaphenoxide (CID 25021451) is niobium(5+) pentaphenoxide.
What is the SMILES notation for niobium(5+) pentaphenoxide?
The canonical SMILES for niobium(5+) pentaphenoxide is [Nb+5].[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of niobium(5+) pentaphenoxide?
The InChIKey is ZCNDFHXTXLMYDM-UHFFFAOYSA-I. The full InChI is InChI=1S/5C6H6O.Nb/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;/q;;;;;+5/p-5.
What are the key properties of niobium(5+) pentaphenoxide?
niobium(5+) pentaphenoxide has a molecular weight of 558.43 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for niobium(5+) pentaphenoxide is sourced from PubChem (CID 25021451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).