dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine

C29H27Cl2CoN3 — CID 142048598

IUPACdichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
SMILESCCc1ccccc1/N=C/c1cccc(/C(=N/c2ccccc2CC)c2ccccc2)n1.Cl[Co]Cl
InChIInChI=1S/C29H27N3.2ClH.Co/c1-3-22-13-8-10-18-26(22)30-21-25-17-12-20-28(31-25)29(24-15-6-5-7-16-24)32-27-19-11-9-14-23(27)4-2;;;/h5-21H,3-4H2,1-2H3;2*1H;/q;;;+2/p-2/b30-21+,32-29+;;;
InChIKeyFYHSSUVTJKNOQP-NEOCDGLVSA-L
MW547.40 g/mol
LogP8.50
Rot. Bonds7

About dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine

dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine (PubChem CID 142048598) has the molecular formula C29H27Cl2CoN3 and a molecular weight of 547.40 g/mol. Its IUPAC name is dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine.

Molecular Properties

Compound Namedichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
PubChem CID142048598
Molecular FormulaC29H27Cl2CoN3
Molecular Weight547.40 g/mol
Exact Mass546.09
IUPAC Namedichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
SMILESCCc1ccccc1/N=C/c1cccc(/C(=N/c2ccccc2CC)c2ccccc2)n1.Cl[Co]Cl
InChIInChI=1S/C29H27N3.2ClH.Co/c1-3-22-13-8-10-18-26(22)30-21-25-17-12-20-28(31-25)29(24-15-6-5-7-16-24)32-27-19-11-9-14-23(27)4-2;;;/h5-21H,3-4H2,1-2H3;2*1H;/q;;;+2/p-2/b30-21+,32-29+;;;
InChIKeyFYHSSUVTJKNOQP-NEOCDGLVSA-L
XLogP8.50
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.40
LogP ≤ 58.50
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

dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048555
bis(dichlorocobalt);1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-[4-[[[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-phenylmethylidene]amino]phenyl]-1-phenylmethanimine
CID 20750702
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 139079886
cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
CID 175255082
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
N-(2-chloro-6-ethyl-4-methylphenyl)-1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451119
1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451110
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde
CID 136881072
N-(2-ethyl-6-propan-2-ylphenyl)-1-phenyl-1-pyridin-2-ylmethanimine
CID 142056339
4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
CID 121403211
4-[[[6-[N-(4-ethyl-2-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-phenylmethylidene]amino]-3-methylbenzonitrile
CID 145156122

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine?
The IUPAC name of dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine (CID 142048598) is dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine.
What is the SMILES notation for dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine?
The canonical SMILES for dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine is CCc1ccccc1/N=C/c1cccc(/C(=N/c2ccccc2CC)c2ccccc2)n1.Cl[Co]Cl.
What is the InChIKey of dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine?
The InChIKey is FYHSSUVTJKNOQP-NEOCDGLVSA-L. The full InChI is InChI=1S/C29H27N3.2ClH.Co/c1-3-22-13-8-10-18-26(22)30-21-25-17-12-20-28(31-25)29(24-15-6-5-7-16-24)32-27-19-11-9-14-23(27)4-2;;;/h5-21H,3-4H2,1-2H3;2*1H;/q;;;+2/p-2/b30-21+,32-29+;;;.
What are the key properties of dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine?
dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine has a molecular weight of 547.40 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine is sourced from PubChem (CID 142048598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).