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

C44H47N7O3Os — CID 139135940

IUPAC2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
SMILESCOc1cc([N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])cc(OC)c1.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C22H30NO3.2C11H9N3.Os/c1-21(2,3)14-9-18(22(4,5)6)20(24)19(10-14)23-15-11-16(25-7)13-17(12-15)26-8;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h9-13,24H,1-8H3;2*1-9H;/q-1;;;+2/p-1/b;2*14-13+;
InChIKeyRUHCLJQXKAMQSM-XVMIXBNESA-M
MW912.14 g/mol
LogP12.70
Rot. Bonds8

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

2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) (PubChem CID 139135940) has the molecular formula C44H47N7O3Os and a molecular weight of 912.14 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene).

Molecular Properties

Compound Name2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
PubChem CID139135940
Molecular FormulaC44H47N7O3Os
Molecular Weight912.14 g/mol
Exact Mass913.34
IUPAC Name2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)
SMILESCOc1cc([N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])cc(OC)c1.[Os+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C22H30NO3.2C11H9N3.Os/c1-21(2,3)14-9-18(22(4,5)6)20(24)19(10-14)23-15-11-16(25-7)13-17(12-15)26-8;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h9-13,24H,1-8H3;2*1-9H;/q-1;;;+2/p-1/b;2*14-13+;
InChIKeyRUHCLJQXKAMQSM-XVMIXBNESA-M
XLogP12.70
TPSA130.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.14
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
CID 139133163
bis(2,4-ditert-butyl-6-(C,N-diphenylcarbonimidoyl)phenolate);titanium(4+);dichloride
CID 159591478
dipyridin-2-yldiazene;osmium
CID 173074203
N,N-dimethyl-4-(pyridin-2-yldiazenyl)benzeneamine oxide
CID 102057168
bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
CID 71492034
[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene
CID 21342333
3,6-ditert-butyl-4-methoxybenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-2-pyridin-2-ylethanimine;nickel(2+)
CID 160633623
dizinc;bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenolate);bis(bis(trimethylsilyl)azanide)
CID 139175742
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
3,6-ditert-butyl-4-methoxybenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 161207320
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
2-tert-butyl-4-methoxyphenolate
CID 19016621

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
The IUPAC name of 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) (CID 139135940) is 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene).
What is the SMILES notation for 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
The canonical SMILES for 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) is COc1cc([N-]c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])cc(OC)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-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
The InChIKey is RUHCLJQXKAMQSM-XVMIXBNESA-M. The full InChI is InChI=1S/C22H30NO3.2C11H9N3.Os/c1-21(2,3)14-9-18(22(4,5)6)20(24)19(10-14)23-15-11-16(25-7)13-17(12-15)26-8;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;/h9-13,24H,1-8H3;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-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene)?
2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) has a molecular weight of 912.14 g/mol, XLogP of 12.70, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(3,5-dimethoxyphenyl)azanidylphenolate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene) is sourced from PubChem (CID 139135940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).