2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)

C31H34N4OPt — CID 139182373

IUPAC2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)
SMILESCC(C)(C)c1cc([N-]c2ccccc2)c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C20H26NO.C11H9N3.Pt/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h7-13,22H,1-6H3;1-9H;/q-1;;+2/p-1/b;14-13+;
InChIKeyTUCSAYGFDKVAON-RXDJDOOOSA-M
MW673.72 g/mol
LogP9.19
Rot. Bonds4

About 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)

2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+) (PubChem CID 139182373) has the molecular formula C31H34N4OPt and a molecular weight of 673.72 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+).

Molecular Properties

Compound Name2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)
PubChem CID139182373
Molecular FormulaC31H34N4OPt
Molecular Weight673.72 g/mol
Exact Mass673.24
IUPAC Name2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)
SMILESCC(C)(C)c1cc([N-]c2ccccc2)c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C20H26NO.C11H9N3.Pt/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h7-13,22H,1-6H3;1-9H;/q-1;;+2/p-1/b;14-13+;
InChIKeyTUCSAYGFDKVAON-RXDJDOOOSA-M
XLogP9.19
TPSA74.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.72
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Ditert-butyl-6-phenylazanidylphenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(3+);toluene;perchlorate
CID 139127174
2,4-Ditert-butyl-6-phenylazanidylphenolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139133128
2,4-Ditert-butyl-6-phenylazanidylphenolate;platinum(2+);2-pyridin-2-ylpyridine
CID 139133130
2,4-Ditert-butyl-6-phenylazanidylphenolate;platinum;2-pyridin-2-ylpyridine;hexafluorophosphate
CID 139133131
2,4-Ditert-butyl-6-phenylazanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135938
2,4-Ditert-butyl-6-(3,5-dichlorophenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135939
2,4-Ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135941
Bis(2-azanidyl-4,6-ditert-butylphenolate);carbon monoxide;2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate;rhenium
CID 139136017
Bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);molybdenum;bis(oxygen(2-))
CID 139142974
Chromium(2+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate)
CID 139142975
Chromium(3+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);triiodide
CID 139142976
3,5-Ditert-butylbenzene-1,2-diolate;phenyl(pyridin-2-yl)diazene;platinum(2+)
CID 139149562

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)?
The IUPAC name of 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+) (CID 139182373) is 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+).
What is the SMILES notation for 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)?
The canonical SMILES for 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+) is CC(C)(C)c1cc([N-]c2ccccc2)c([O-])c(C(C)(C)C)c1.[Pt+2].c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)?
The InChIKey is TUCSAYGFDKVAON-RXDJDOOOSA-M. The full InChI is InChI=1S/C20H26NO.C11H9N3.Pt/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h7-13,22H,1-6H3;1-9H;/q-1;;+2/p-1/b;14-13+;.
What are the key properties of 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+)?
2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+) has a molecular weight of 673.72 g/mol, XLogP of 9.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-phenylazanidylphenolate;phenyl(pyridin-2-yl)diazene;platinum(2+) is sourced from PubChem (CID 139182373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).