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

C36H44CoN2O6Si2 — CID 173033996

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 Name: cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
• PubChem CID: 173033996
• Molecular Formula: C36H44CoN2O6Si2
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.21
• IUPAC Name: cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
• SMILES: 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]
• InChI: 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+
• InChIKey: IRJIKPDDWVRYFI-UXNUZGMJSA-L
• XLogP: 4.97
• TPSA: 145.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

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).