cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate

C60H60Co2N6O2-2 — CID 173181729

IUPACcobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate
SMILESC/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.[Co].[Co].[O-]c1cc2ccccc2cc1[O-]
InChIInChI=1S/2C25H27N3.C10H8O2.2Co/c2*1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;11-9-5-7-3-1-2-4-8(7)6-10(9)12;;/h2*7-15H,1-6H3;1-6,11-12H;;/p-2/b2*26-20+,27-21+;;;
InChIKeyCLCRGYMTJLNLMP-MSFWIPFTSA-L
MW1015.05 g/mol
LogP14.18
Rot. Bonds8

About cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate

cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate (PubChem CID 173181729) has the molecular formula C60H60Co2N6O2-2 and a molecular weight of 1015.05 g/mol. Its IUPAC name is cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate.

Molecular Properties

Compound Namecobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate
PubChem CID173181729
Molecular FormulaC60H60Co2N6O2-2
Molecular Weight1015.05 g/mol
Exact Mass1014.35
IUPAC Namecobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate
SMILESC/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.[Co].[Co].[O-]c1cc2ccccc2cc1[O-]
InChIInChI=1S/2C25H27N3.C10H8O2.2Co/c2*1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;11-9-5-7-3-1-2-4-8(7)6-10(9)12;;/h2*7-15H,1-6H3;1-6,11-12H;;/p-2/b2*26-20+,27-21+;;;
InChIKeyCLCRGYMTJLNLMP-MSFWIPFTSA-L
XLogP14.18
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.05
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate?
The IUPAC name of cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate (CID 173181729) is cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate.
What is the SMILES notation for cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate?
The canonical SMILES for cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate is C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.C/C(=N\c1ccc(C)cc1C)c1cccc(/C(C)=N/c2ccc(C)cc2C)n1.[Co].[Co].[O-]c1cc2ccccc2cc1[O-].
What is the InChIKey of cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate?
The InChIKey is CLCRGYMTJLNLMP-MSFWIPFTSA-L. The full InChI is InChI=1S/2C25H27N3.C10H8O2.2Co/c2*1-16-10-12-22(18(3)14-16)26-20(5)24-8-7-9-25(28-24)21(6)27-23-13-11-17(2)15-19(23)4;11-9-5-7-3-1-2-4-8(7)6-10(9)12;;/h2*7-15H,1-6H3;1-6,11-12H;;/p-2/b2*26-20+,27-21+;;;.
What are the key properties of cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate?
cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate has a molecular weight of 1015.05 g/mol, XLogP of 14.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate is sourced from PubChem (CID 173181729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).