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

C29H35Cl3CoN3 — CID 173242790

IUPACcobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
SMILESCCc1cccc(CC)c1/N=C(\C)c1cccc(/C(C)=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C29H35N3.3ClH.Co/c1-7-22-14-11-15-23(8-2)28(22)30-20(5)26-18-13-19-27(32-26)21(6)31-29-24(9-3)16-12-17-25(29)10-4;;;;/h11-19H,7-10H2,1-6H3;3*1H;/q;;;;+3/p-3/b30-20+,31-21+;;;;
InChIKeyISESIZAQZNPRTR-BSJMKALJSA-K
MW590.91 g/mol
LogP-1.38
Rot. Bonds8

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

cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride (PubChem CID 173242790) has the molecular formula C29H35Cl3CoN3 and a molecular weight of 590.91 g/mol. Its IUPAC name is cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride.

Molecular Properties

Compound Namecobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
PubChem CID173242790
Molecular FormulaC29H35Cl3CoN3
Molecular Weight590.91 g/mol
Exact Mass589.12
IUPAC Namecobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
SMILESCCc1cccc(CC)c1/N=C(\C)c1cccc(/C(C)=N/c2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C29H35N3.3ClH.Co/c1-7-22-14-11-15-23(8-2)28(22)30-20(5)26-18-13-19-27(32-26)21(6)31-29-24(9-3)16-12-17-25(29)10-4;;;;/h11-19H,7-10H2,1-6H3;3*1H;/q;;;;+3/p-3/b30-20+,31-21+;;;;
InChIKeyISESIZAQZNPRTR-BSJMKALJSA-K
XLogP-1.38
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.91
LogP ≤ 5-1.38
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

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-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
N-(2,6-dibutylphenyl)-1-[6-[N-(2,6-dibutylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243561
N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451117
cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
CID 175255082
cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride
CID 173246684
N-(2,6-dichlorophenyl)-1-[6-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 172995773
1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine
CID 173243005
1-[4-chloro-6-[N-(2,6-dibutylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,6-dibutylphenyl)ethanimine;vanadium;trichloride
CID 173243533
1-[4-chloro-6-[N-(2,6-dibutylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,6-dibutylphenyl)ethanimine;iron(2+);dichloride
CID 173245280

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride?
The IUPAC name of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride (CID 173242790) is cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride.
What is the SMILES notation for cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride?
The canonical SMILES for cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride is CCc1cccc(CC)c1/N=C(\C)c1cccc(/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]-2-pyridinyl]ethanimine;trichloride?
The InChIKey is ISESIZAQZNPRTR-BSJMKALJSA-K. The full InChI is InChI=1S/C29H35N3.3ClH.Co/c1-7-22-14-11-15-23(8-2)28(22)30-20(5)26-18-13-19-27(32-26)21(6)31-29-24(9-3)16-12-17-25(29)10-4;;;;/h11-19H,7-10H2,1-6H3;3*1H;/q;;;;+3/p-3/b30-20+,31-21+;;;;.
What are the key properties of cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride?
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride has a molecular weight of 590.91 g/mol, XLogP of -1.38, 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]-2-pyridinyl]ethanimine;trichloride is sourced from PubChem (CID 173242790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).