pentakis(benzene-1,2-diolate);bis(niobium(5+))

C30H20Nb2O10 — CID 131730578

IUPACpentakis(benzene-1,2-diolate);bis(niobium(5+))
SMILES[Nb+5].[Nb+5].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-]
InChIInChI=1S/5C6H6O2.2Nb/c5*7-5-3-1-2-4-6(5)8;;/h5*1-4,7-8H;;/q;;;;;2*+5/p-10
InChIKeyHEZWFXGPCLIOIB-UHFFFAOYSA-D
MW726.29 g/mol
LogP-0.84
Rot. Bonds

About pentakis(benzene-1,2-diolate);bis(niobium(5+))

pentakis(benzene-1,2-diolate);bis(niobium(5+)) (PubChem CID 131730578) has the molecular formula C30H20Nb2O10 and a molecular weight of 726.29 g/mol. Its IUPAC name is pentakis(benzene-1,2-diolate);bis(niobium(5+)).

Molecular Properties

Compound Namepentakis(benzene-1,2-diolate);bis(niobium(5+))
PubChem CID131730578
Molecular FormulaC30H20Nb2O10
Molecular Weight726.29 g/mol
Exact Mass725.92
IUPAC Namepentakis(benzene-1,2-diolate);bis(niobium(5+))
SMILES[Nb+5].[Nb+5].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-]
InChIInChI=1S/5C6H6O2.2Nb/c5*7-5-3-1-2-4-6(5)8;;/h5*1-4,7-8H;;/q;;;;;2*+5/p-10
InChIKeyHEZWFXGPCLIOIB-UHFFFAOYSA-D
XLogP-0.84
TPSA230.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500726.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of pentakis(benzene-1,2-diolate);bis(niobium(5+))?
The IUPAC name of pentakis(benzene-1,2-diolate);bis(niobium(5+)) (CID 131730578) is pentakis(benzene-1,2-diolate);bis(niobium(5+)).
What is the SMILES notation for pentakis(benzene-1,2-diolate);bis(niobium(5+))?
The canonical SMILES for pentakis(benzene-1,2-diolate);bis(niobium(5+)) is [Nb+5].[Nb+5].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].
What is the InChIKey of pentakis(benzene-1,2-diolate);bis(niobium(5+))?
The InChIKey is HEZWFXGPCLIOIB-UHFFFAOYSA-D. The full InChI is InChI=1S/5C6H6O2.2Nb/c5*7-5-3-1-2-4-6(5)8;;/h5*1-4,7-8H;;/q;;;;;2*+5/p-10.
What are the key properties of pentakis(benzene-1,2-diolate);bis(niobium(5+))?
pentakis(benzene-1,2-diolate);bis(niobium(5+)) has a molecular weight of 726.29 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(benzene-1,2-diolate);bis(niobium(5+)) is sourced from PubChem (CID 131730578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).