2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)

C50H59N7OOs — CID 139135941

IUPAC2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
SMILESCC(C)(C)c1cc([N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])cc(C(C)(C)C)c1.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C28H42NO.2C11H9N3.Os/c1-25(2,3)18-13-19(26(4,5)6)15-21(14-18)29-23-17-20(27(7,8)9)16-22(24(23)30)28(10,11)12;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h13-17,30H,1-12H3;2*1-9H;/q-1;;;+2/p-1/b;2*14-13+;
InChIKeyYBJVVJWQUNSICG-XVMIXBNESA-M
MW964.30 g/mol
LogP15.28
Rot. Bonds6

About 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)

2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) (PubChem CID 139135941) has the molecular formula C50H59N7OOs and a molecular weight of 964.30 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene).

Molecular Properties

Compound Name2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
PubChem CID139135941
Molecular FormulaC50H59N7OOs
Molecular Weight964.30 g/mol
Exact Mass965.44
IUPAC Name2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
SMILESCC(C)(C)c1cc([N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])cc(C(C)(C)C)c1.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C28H42NO.2C11H9N3.Os/c1-25(2,3)18-13-19(26(4,5)6)15-21(14-18)29-23-17-20(27(7,8)9)16-22(24(23)30)28(10,11)12;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h13-17,30H,1-12H3;2*1-9H;/q-1;;;+2/p-1/b;2*14-13+;
InChIKeyYBJVVJWQUNSICG-XVMIXBNESA-M
XLogP15.28
TPSA112.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.30
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Benzene;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2,4-ditert-butyl-6-[2,6-di(propan-2-yl)phenyl]azanidylphenolate;nickel(2+)
CID 139047678
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;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-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
CID 139135940
Bis(2-azanidyl-4,6-ditert-butylphenolate);carbon monoxide;2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate;rhenium
CID 139136017
Manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 139140410
Nickel(2+);oxolane;bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 139140411
2-(2-Oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)
CID 139141168
Bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);molybdenum;bis(oxygen(2-))
CID 139142974

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
The IUPAC name of 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) (CID 139135941) is 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene).
What is the SMILES notation for 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
The canonical SMILES for 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) is CC(C)(C)c1cc([N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])cc(C(C)(C)C)c1.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
The InChIKey is YBJVVJWQUNSICG-XVMIXBNESA-M. The full InChI is InChI=1S/C28H42NO.2C11H9N3.Os/c1-25(2,3)18-13-19(26(4,5)6)15-21(14-18)29-23-17-20(27(7,8)9)16-22(24(23)30)28(10,11)12;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h13-17,30H,1-12H3;2*1-9H;/q-1;;;+2/p-1/b;2*14-13+;.
What are the key properties of 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) has a molecular weight of 964.30 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(3,5-ditert-butylphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) is sourced from PubChem (CID 139135941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).