cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate

C36H50CoN2O6Si2 — CID 173034134

IUPACcobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)c1cc([Si](C)(C)C)cc(/C=N/c2ccc(/N=C/c3cc([Si](C)(C)C)cc(C(C)C)c3O)cc2)c1O.[Co+2]
InChIInChI=1S/C32H44N2O2Si2.2C2H4O2.Co/c1-21(2)29-17-27(37(5,6)7)15-23(31(29)35)19-33-25-11-13-26(14-12-25)34-20-24-16-28(38(8,9)10)18-30(22(3)4)32(24)36;2*1-2(3)4;/h11-22,35-36H,1-10H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-19+,34-20+;;;
InChIKeyLBHVGCBOPKXARM-UXNUZGMJSA-L
MW721.91 g/mol
LogP5.45
Rot. Bonds8

About cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate

cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate (PubChem CID 173034134) has the molecular formula C36H50CoN2O6Si2 and a molecular weight of 721.91 g/mol. Its IUPAC name is cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate
PubChem CID173034134
Molecular FormulaC36H50CoN2O6Si2
Molecular Weight721.91 g/mol
Exact Mass721.25
IUPAC Namecobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)c1cc([Si](C)(C)C)cc(/C=N/c2ccc(/N=C/c3cc([Si](C)(C)C)cc(C(C)C)c3O)cc2)c1O.[Co+2]
InChIInChI=1S/C32H44N2O2Si2.2C2H4O2.Co/c1-21(2)29-17-27(37(5,6)7)15-23(31(29)35)19-33-25-11-13-26(14-12-25)34-20-24-16-28(38(8,9)10)18-30(22(3)4)32(24)36;2*1-2(3)4;/h11-22,35-36H,1-10H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-19+,34-20+;;;
InChIKeyLBHVGCBOPKXARM-UXNUZGMJSA-L
XLogP5.45
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.91
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate?
The IUPAC name of cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate (CID 173034134) is cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate.
What is the SMILES notation for cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate?
The canonical SMILES for cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)c1cc([Si](C)(C)C)cc(/C=N/c2ccc(/N=C/c3cc([Si](C)(C)C)cc(C(C)C)c3O)cc2)c1O.[Co+2].
What is the InChIKey of cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate?
The InChIKey is LBHVGCBOPKXARM-UXNUZGMJSA-L. The full InChI is InChI=1S/C32H44N2O2Si2.2C2H4O2.Co/c1-21(2)29-17-27(37(5,6)7)15-23(31(29)35)19-33-25-11-13-26(14-12-25)34-20-24-16-28(38(8,9)10)18-30(22(3)4)32(24)36;2*1-2(3)4;/h11-22,35-36H,1-10H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-19+,34-20+;;;.
What are the key properties of cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate?
cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate has a molecular weight of 721.91 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate is sourced from PubChem (CID 173034134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).