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

C30H20O10Ta2 — CID 131730579

IUPACpentakis(benzene-1,2-diolate);bis(tantalum(5+))
SMILES[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Ta+5].[Ta+5]
InChIInChI=1S/5C6H6O2.2Ta/c5*7-5-3-1-2-4-6(5)8;;/h5*1-4,7-8H;;/q;;;;;2*+5/p-10
InChIKeyODDLCMANDZLZCA-UHFFFAOYSA-D
MW902.38 g/mol
LogP-0.84
Rot. Bonds

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

pentakis(benzene-1,2-diolate);bis(tantalum(5+)) (PubChem CID 131730579) has the molecular formula C30H20O10Ta2 and a molecular weight of 902.38 g/mol. Its IUPAC name is pentakis(benzene-1,2-diolate);bis(tantalum(5+)).

Molecular Properties

Compound Namepentakis(benzene-1,2-diolate);bis(tantalum(5+))
PubChem CID131730579
Molecular FormulaC30H20O10Ta2
Molecular Weight902.38 g/mol
Exact Mass902.00
IUPAC Namepentakis(benzene-1,2-diolate);bis(tantalum(5+))
SMILES[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Ta+5].[Ta+5]
InChIInChI=1S/5C6H6O2.2Ta/c5*7-5-3-1-2-4-6(5)8;;/h5*1-4,7-8H;;/q;;;;;2*+5/p-10
InChIKeyODDLCMANDZLZCA-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 ≤ 500902.38
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(tantalum(5+))?
The IUPAC name of pentakis(benzene-1,2-diolate);bis(tantalum(5+)) (CID 131730579) is pentakis(benzene-1,2-diolate);bis(tantalum(5+)).
What is the SMILES notation for pentakis(benzene-1,2-diolate);bis(tantalum(5+))?
The canonical SMILES for pentakis(benzene-1,2-diolate);bis(tantalum(5+)) is [O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Ta+5].[Ta+5].
What is the InChIKey of pentakis(benzene-1,2-diolate);bis(tantalum(5+))?
The InChIKey is ODDLCMANDZLZCA-UHFFFAOYSA-D. The full InChI is InChI=1S/5C6H6O2.2Ta/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(tantalum(5+))?
pentakis(benzene-1,2-diolate);bis(tantalum(5+)) has a molecular weight of 902.38 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(tantalum(5+)) is sourced from PubChem (CID 131730579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).