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

C36H44CoN2O6Si2 — CID 173033996

IUPACcobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C32H38N2O2Si2.2C2H4O2.Co/c1-21-13-27(37(3,4)5)15-25(31(21)35)19-33-29-17-23-11-9-10-12-24(23)18-30(29)34-20-26-16-28(38(6,7)8)14-22(2)32(26)36;2*1-2(3)4;/h9-20,35-36H,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-19+,34-20+;;;
InChIKeyIRJIKPDDWVRYFI-UXNUZGMJSA-L
MW715.86 g/mol
LogP4.97
Rot. Bonds6

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

cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate (PubChem CID 173033996) has the molecular formula C36H44CoN2O6Si2 and a molecular weight of 715.86 g/mol. Its IUPAC name is cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
PubChem CID173033996
Molecular FormulaC36H44CoN2O6Si2
Molecular Weight715.86 g/mol
Exact Mass715.21
IUPAC Namecobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C32H38N2O2Si2.2C2H4O2.Co/c1-21-13-27(37(3,4)5)15-25(31(21)35)19-33-29-17-23-11-9-10-12-24(23)18-30(29)34-20-26-16-28(38(6,7)8)14-22(2)32(26)36;2*1-2(3)4;/h9-20,35-36H,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-19+,34-20+;;;
InChIKeyIRJIKPDDWVRYFI-UXNUZGMJSA-L
XLogP4.97
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500715.86
LogP ≤ 54.97
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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Related Compounds

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate
CID 159457220
cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
CID 158037661
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
CID 173034131
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
CID 173034032
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
CID 173033867
cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate
CID 173034134
2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
CID 137099226
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate
CID 173033897
cobalt(2+);2-[[8-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
CID 157073156
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
The IUPAC name of cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate (CID 173033996) is cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate.
What is the SMILES notation for cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
The canonical SMILES for cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2].
What is the InChIKey of cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
The InChIKey is IRJIKPDDWVRYFI-UXNUZGMJSA-L. The full InChI is InChI=1S/C32H38N2O2Si2.2C2H4O2.Co/c1-21-13-27(37(3,4)5)15-25(31(21)35)19-33-29-17-23-11-9-10-12-24(23)18-30(29)34-20-26-16-28(38(6,7)8)14-22(2)32(26)36;2*1-2(3)4;/h9-20,35-36H,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b33-19+,34-20+;;;.
What are the key properties of cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate has a molecular weight of 715.86 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate is sourced from PubChem (CID 173033996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).