bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)

C24H36N6O2Pd — CID 139154413

IUPACbis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)
SMILESCc1cccc(/N=N/N([O-])C(C)(C)C)c1C.Cc1cccc(/N=N/N([O-])C(C)(C)C)c1C.[Pd+2]
InChIInChI=1S/2C12H18N3O.Pd/c2*1-9-7-6-8-11(10(9)2)13-14-15(16)12(3,4)5;/h2*6-8H,1-5H3;/q2*-1;+2/b2*14-13+;
InChIKeyYOOKWOIPKUBJMF-FZHLCEHXSA-N
MW547.01 g/mol
LogP7.80
Rot. Bonds4

About bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)

bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+) (PubChem CID 139154413) has the molecular formula C24H36N6O2Pd and a molecular weight of 547.01 g/mol. Its IUPAC name is bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+).

Molecular Properties

Compound Namebis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)
PubChem CID139154413
Molecular FormulaC24H36N6O2Pd
Molecular Weight547.01 g/mol
Exact Mass546.19
IUPAC Namebis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)
SMILESCc1cccc(/N=N/N([O-])C(C)(C)C)c1C.Cc1cccc(/N=N/N([O-])C(C)(C)C)c1C.[Pd+2]
InChIInChI=1S/2C12H18N3O.Pd/c2*1-9-7-6-8-11(10(9)2)13-14-15(16)12(3,4)5;/h2*6-8H,1-5H3;/q2*-1;+2/b2*14-13+;
InChIKeyYOOKWOIPKUBJMF-FZHLCEHXSA-N
XLogP7.80
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.01
LogP ≤ 57.80
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)?
The IUPAC name of bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+) (CID 139154413) is bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+).
What is the SMILES notation for bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)?
The canonical SMILES for bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+) is Cc1cccc(/N=N/N([O-])C(C)(C)C)c1C.Cc1cccc(/N=N/N([O-])C(C)(C)C)c1C.[Pd+2].
What is the InChIKey of bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)?
The InChIKey is YOOKWOIPKUBJMF-FZHLCEHXSA-N. The full InChI is InChI=1S/2C12H18N3O.Pd/c2*1-9-7-6-8-11(10(9)2)13-14-15(16)12(3,4)5;/h2*6-8H,1-5H3;/q2*-1;+2/b2*14-13+;.
What are the key properties of bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+)?
bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+) has a molecular weight of 547.01 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(2,3-dimethylphenyl)diazenyl]-2-methyl-N-oxidopropan-2-amine);palladium(2+) is sourced from PubChem (CID 139154413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).