cobalt;bis(naphthalene-1,2,4-trione)

C20H12CoO6 — CID 70554472

IUPACcobalt;bis(naphthalene-1,2,4-trione)
SMILESO=C1CC(=O)c2ccccc2C1=O.O=C1CC(=O)c2ccccc2C1=O.[Co]
InChIInChI=1S/2C10H6O3.Co/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;/h2*1-4H,5H2;
InChIKeyUGMARDCGRRPFON-UHFFFAOYSA-N
MW407.24 g/mol
LogP2.05
Rot. Bonds

About cobalt;bis(naphthalene-1,2,4-trione)

cobalt;bis(naphthalene-1,2,4-trione) (PubChem CID 70554472) has the molecular formula C20H12CoO6 and a molecular weight of 407.24 g/mol. Its IUPAC name is cobalt;bis(naphthalene-1,2,4-trione).

Molecular Properties

Compound Namecobalt;bis(naphthalene-1,2,4-trione)
PubChem CID70554472
Molecular FormulaC20H12CoO6
Molecular Weight407.24 g/mol
Exact Mass407.00
IUPAC Namecobalt;bis(naphthalene-1,2,4-trione)
SMILESO=C1CC(=O)c2ccccc2C1=O.O=C1CC(=O)c2ccccc2C1=O.[Co]
InChIInChI=1S/2C10H6O3.Co/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;/h2*1-4H,5H2;
InChIKeyUGMARDCGRRPFON-UHFFFAOYSA-N
XLogP2.05
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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7-methylnaphthalene-1,2,4-trione
CID 54358418
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CID 174683199
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;hydrate;hydrochloride
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anthracene-9,10-dione;platinum(2+);dichloride
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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(naphthalene-1,2,4-trione)?
The IUPAC name of cobalt;bis(naphthalene-1,2,4-trione) (CID 70554472) is cobalt;bis(naphthalene-1,2,4-trione).
What is the SMILES notation for cobalt;bis(naphthalene-1,2,4-trione)?
The canonical SMILES for cobalt;bis(naphthalene-1,2,4-trione) is O=C1CC(=O)c2ccccc2C1=O.O=C1CC(=O)c2ccccc2C1=O.[Co].
What is the InChIKey of cobalt;bis(naphthalene-1,2,4-trione)?
The InChIKey is UGMARDCGRRPFON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6O3.Co/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;/h2*1-4H,5H2;.
What are the key properties of cobalt;bis(naphthalene-1,2,4-trione)?
cobalt;bis(naphthalene-1,2,4-trione) has a molecular weight of 407.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(naphthalene-1,2,4-trione) is sourced from PubChem (CID 70554472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).