palladium(2+);bis(2-phenyldiazenylphenolate)

C24H18N4O2Pd — CID 171041085

IUPACpalladium(2+);bis(2-phenyldiazenylphenolate)
SMILES[O-]c1ccccc1/N=N\c1ccccc1.[O-]c1ccccc1/N=N\c1ccccc1.[Pd+2]
InChIInChI=1S/2C12H10N2O.Pd/c2*15-12-9-5-4-8-11(12)14-13-10-6-2-1-3-7-10;/h2*1-9,15H;/q;;+2/p-2/b2*14-13-;
InChIKeyBNDQGDUWIMHNOI-DEWSNNOYSA-L
MW500.85 g/mol
LogP6.35
Rot. Bonds4

About palladium(2+);bis(2-phenyldiazenylphenolate)

palladium(2+);bis(2-phenyldiazenylphenolate) (PubChem CID 171041085) has the molecular formula C24H18N4O2Pd and a molecular weight of 500.85 g/mol. Its IUPAC name is palladium(2+);bis(2-phenyldiazenylphenolate).

Molecular Properties

Compound Namepalladium(2+);bis(2-phenyldiazenylphenolate)
PubChem CID171041085
Molecular FormulaC24H18N4O2Pd
Molecular Weight500.85 g/mol
Exact Mass500.05
IUPAC Namepalladium(2+);bis(2-phenyldiazenylphenolate)
SMILES[O-]c1ccccc1/N=N\c1ccccc1.[O-]c1ccccc1/N=N\c1ccccc1.[Pd+2]
InChIInChI=1S/2C12H10N2O.Pd/c2*15-12-9-5-4-8-11(12)14-13-10-6-2-1-3-7-10;/h2*1-9,15H;/q;;+2/p-2/b2*14-13-;
InChIKeyBNDQGDUWIMHNOI-DEWSNNOYSA-L
XLogP6.35
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.85
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2-phenyldiazenylphenolate)?
The IUPAC name of palladium(2+);bis(2-phenyldiazenylphenolate) (CID 171041085) is palladium(2+);bis(2-phenyldiazenylphenolate).
What is the SMILES notation for palladium(2+);bis(2-phenyldiazenylphenolate)?
The canonical SMILES for palladium(2+);bis(2-phenyldiazenylphenolate) is [O-]c1ccccc1/N=N\c1ccccc1.[O-]c1ccccc1/N=N\c1ccccc1.[Pd+2].
What is the InChIKey of palladium(2+);bis(2-phenyldiazenylphenolate)?
The InChIKey is BNDQGDUWIMHNOI-DEWSNNOYSA-L. The full InChI is InChI=1S/2C12H10N2O.Pd/c2*15-12-9-5-4-8-11(12)14-13-10-6-2-1-3-7-10;/h2*1-9,15H;/q;;+2/p-2/b2*14-13-;.
What are the key properties of palladium(2+);bis(2-phenyldiazenylphenolate)?
palladium(2+);bis(2-phenyldiazenylphenolate) has a molecular weight of 500.85 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(2-phenyldiazenylphenolate) is sourced from PubChem (CID 171041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).