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

C34H45Cl3CoN3 — CID 173244057

IUPACcobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride
SMILESCCc1cc(CC)c(/N=C(\C)c2cc(C)cc(/C(C)=N/c3c(CC)cc(CC)cc3CC)n2)c(CC)c1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C34H45N3.3ClH.Co/c1-10-25-18-27(12-3)33(28(13-4)19-25)35-23(8)31-16-22(7)17-32(37-31)24(9)36-34-29(14-5)20-26(11-2)21-30(34)15-6;;;;/h16-21H,10-15H2,1-9H3;3*1H;/q;;;;+3/p-3/b35-23+,36-24+;;;;
InChIKeyNLGFRIBNDPLFMD-CREDIRGFSA-K
MW661.05 g/mol
LogP0.06
Rot. Bonds10

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

cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride (PubChem CID 173244057) has the molecular formula C34H45Cl3CoN3 and a molecular weight of 661.05 g/mol. Its IUPAC name is cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride
PubChem CID173244057
Molecular FormulaC34H45Cl3CoN3
Molecular Weight661.05 g/mol
Exact Mass659.20
IUPAC Namecobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride
SMILESCCc1cc(CC)c(/N=C(\C)c2cc(C)cc(/C(C)=N/c3c(CC)cc(CC)cc3CC)n2)c(CC)c1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C34H45N3.3ClH.Co/c1-10-25-18-27(12-3)33(28(13-4)19-25)35-23(8)31-16-22(7)17-32(37-31)24(9)36-34-29(14-5)20-26(11-2)21-30(34)15-6;;;;/h16-21H,10-15H2,1-9H3;3*1H;/q;;;;+3/p-3/b35-23+,36-24+;;;;
InChIKeyNLGFRIBNDPLFMD-CREDIRGFSA-K
XLogP0.06
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.05
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;iron(3+);trichloride
CID 173244998
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244594
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243023
N-(2,6-dipropylphenyl)-1-[6-[N-(2,6-dipropylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 173243133
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
CID 173242790
1-[4-chloro-6-[C-methyl-N-(4-methyl-2,6-dipropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methyl-2,6-dipropylphenyl)ethanimine;iron(2+);dichloride
CID 173243597
1-[4-chloro-6-[N-(2,6-dibutyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)ethanimine;iron(3+);trichloride
CID 173245007
1-[4-chloro-6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;cobalt(2+);dichloride
CID 173243421
iron(2+);N-[4-methyl-2,6-di(propan-2-yl)phenyl]-1-[4-methyl-6-[C-methyl-N-[4-methyl-2,6-di(propan-2-yl)phenyl]carbonimidoyl]-2-pyridinyl]ethanimine;dichloride
CID 173244477
cobalt(3+);1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;trichloride
CID 173244755
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride?
The IUPAC name of cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride (CID 173244057) is cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride.
What is the SMILES notation for cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride?
The canonical SMILES for cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride is CCc1cc(CC)c(/N=C(\C)c2cc(C)cc(/C(C)=N/c3c(CC)cc(CC)cc3CC)n2)c(CC)c1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride?
The InChIKey is NLGFRIBNDPLFMD-CREDIRGFSA-K. The full InChI is InChI=1S/C34H45N3.3ClH.Co/c1-10-25-18-27(12-3)33(28(13-4)19-25)35-23(8)31-16-22(7)17-32(37-31)24(9)36-34-29(14-5)20-26(11-2)21-30(34)15-6;;;;/h16-21H,10-15H2,1-9H3;3*1H;/q;;;;+3/p-3/b35-23+,36-24+;;;;.
What are the key properties of cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride?
cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride has a molecular weight of 661.05 g/mol, XLogP of 0.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride is sourced from PubChem (CID 173244057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).