cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride

C39H55Cl2CoN3 — CID 173246684

IUPACcobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride
SMILESCCCc1cc(CCC)c(/N=C(\C)c2cccc(/C(C)=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C39H55N3.2ClH.Co/c1-9-16-30-24-32(18-11-3)38(33(25-30)19-12-4)40-28(7)36-22-15-23-37(42-36)29(8)41-39-34(20-13-5)26-31(17-10-2)27-35(39)21-14-6;;;/h15,22-27H,9-14,16-21H2,1-8H3;2*1H;/q;;;+2/p-2/b40-28+,41-29+;;;
InChIKeyRKCYAPUAOZHXSI-JWPBCUDPSA-L
MW695.73 g/mol
LogP5.08
Rot. Bonds16

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

cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride (PubChem CID 173246684) has the molecular formula C39H55Cl2CoN3 and a molecular weight of 695.73 g/mol. Its IUPAC name is cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride.

Molecular Properties

Compound Namecobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride
PubChem CID173246684
Molecular FormulaC39H55Cl2CoN3
Molecular Weight695.73 g/mol
Exact Mass694.31
IUPAC Namecobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride
SMILESCCCc1cc(CCC)c(/N=C(\C)c2cccc(/C(C)=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C39H55N3.2ClH.Co/c1-9-16-30-24-32(18-11-3)38(33(25-30)19-12-4)40-28(7)36-22-15-23-37(42-36)29(8)41-39-34(20-13-5)26-31(17-10-2)27-35(39)21-14-6;;;/h15,22-27H,9-14,16-21H2,1-8H3;2*1H;/q;;;+2/p-2/b40-28+,41-29+;;;
InChIKeyRKCYAPUAOZHXSI-JWPBCUDPSA-L
XLogP5.08
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.73
LogP ≤ 55.08
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-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine
CID 173243005
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
N-(2,6-dipropylphenyl)-1-[6-[N-(2,6-dipropylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 173243133
N-(2,6-dibutylphenyl)-1-[6-[N-(2,6-dibutylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243561
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
CID 173242790
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949
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-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
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244594
cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012064

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride?
The IUPAC name of cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride (CID 173246684) is cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride.
What is the SMILES notation for cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride?
The canonical SMILES for cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride is CCCc1cc(CCC)c(/N=C(\C)c2cccc(/C(C)=N/c3c(CCC)cc(CCC)cc3CCC)n2)c(CCC)c1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride?
The InChIKey is RKCYAPUAOZHXSI-JWPBCUDPSA-L. The full InChI is InChI=1S/C39H55N3.2ClH.Co/c1-9-16-30-24-32(18-11-3)38(33(25-30)19-12-4)40-28(7)36-22-15-23-37(42-36)29(8)41-39-34(20-13-5)26-31(17-10-2)27-35(39)21-14-6;;;/h15,22-27H,9-14,16-21H2,1-8H3;2*1H;/q;;;+2/p-2/b40-28+,41-29+;;;.
What are the key properties of cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride?
cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride has a molecular weight of 695.73 g/mol, XLogP of 5.08, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);1-[6-[C-methyl-N-(2,4,6-tripropylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)ethanimine;dichloride is sourced from PubChem (CID 173246684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).