cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride

C30H37Cl3CoN3 — CID 173244594

About cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride

cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride (PubChem CID 173244594) has the molecular formula C30H37Cl3CoN3 and a molecular weight of 604.94 g/mol. Its IUPAC name is cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride.

Molecular Properties

• Compound Name: cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
• PubChem CID: 173244594
• Molecular Formula: C30H37Cl3CoN3
• Molecular Weight: 604.94 g/mol
• Exact Mass: 603.14
• IUPAC Name: cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
• SMILES: CCc1cccc(CC)c1/N=C(\C)c1cc(C)cc(/C(C)=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Cl-].[Co+3]
• InChI: InChI=1S/C30H37N3.3ClH.Co/c1-8-23-14-12-15-24(9-2)29(23)31-21(6)27-18-20(5)19-28(33-27)22(7)32-30-25(10-3)16-13-17-26(30)11-4;;;;/h12-19H,8-11H2,1-7H3;3*1H;/q;;;;+3/p-3/b31-21+,32-22+
• InChIKey: ICTKSGNZIYGQCZ-SCLVERRMSA-K
• XLogP: -1.07
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.94
LogP ≤ 5	-1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride?

The IUPAC name of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride (CID 173244594) is cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride.

What is the SMILES notation for cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride?

The canonical SMILES for cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride is CCc1cccc(CC)c1/N=C(\C)c1cc(C)cc(/C(C)=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Cl-].[Co+3].

What is the InChIKey of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride?

The InChIKey is ICTKSGNZIYGQCZ-SCLVERRMSA-K. The full InChI is InChI=1S/C30H37N3.3ClH.Co/c1-8-23-14-12-15-24(9-2)29(23)31-21(6)27-18-20(5)19-28(33-27)22(7)32-30-25(10-3)16-13-17-26(30)11-4;;;;/h12-19H,8-11H2,1-7H3;3*1H;/q;;;;+3/p-3/b31-21+,32-22+;;;;.

What are the key properties of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride?

cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride has a molecular weight of 604.94 g/mol, XLogP of -1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride is sourced from PubChem (CID 173244594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).