bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine

C49H36CoN2O6 — CID 139040813

IUPACbis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine
SMILESO=C(c1ccccc1)c1ccccc1O.O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C13H10O2.C10H8N2.Co/c3*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-9,14H;1-8H;/q;;;;+2/p-2
InChIKeyGODFOVVQXHPJML-UHFFFAOYSA-L
MW807.77 g/mol
LogP8.75
Rot. Bonds7

About bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine

bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine (PubChem CID 139040813) has the molecular formula C49H36CoN2O6 and a molecular weight of 807.77 g/mol. Its IUPAC name is bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine
PubChem CID139040813
Molecular FormulaC49H36CoN2O6
Molecular Weight807.77 g/mol
Exact Mass807.19
IUPAC Namebis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine
SMILESO=C(c1ccccc1)c1ccccc1O.O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C13H10O2.C10H8N2.Co/c3*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-9,14H;1-8H;/q;;;;+2/p-2
InChIKeyGODFOVVQXHPJML-UHFFFAOYSA-L
XLogP8.75
TPSA143.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.77
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 13153282
2-hydroxybenzoic acid;bis((2-hydroxybenzoyl)oxidanium);manganese;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 16684723
copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 3246275
2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);manganese;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 3246276
2-Hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;bis(2-oxoniobenzoate)
CID 54605162
Copper;2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine;tris(2-oxoniobenzoate)
CID 54609758
(E)-1-(2-hydroxyphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 13153275
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
Copper; 2-hydroxybenzoate; 2-hydroxybenzoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine
CID 6419864
copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16677977
2-hydroxybenzoic acid;bis((2-hydroxybenzoyl)oxidanium);manganese(2+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16678052
2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);manganese;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16678055

Frequently Asked Questions

What is the IUPAC name of bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine?
The IUPAC name of bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine (CID 139040813) is bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine?
The canonical SMILES for bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine is O=C(c1ccccc1)c1ccccc1O.O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine?
The InChIKey is GODFOVVQXHPJML-UHFFFAOYSA-L. The full InChI is InChI=1S/3C13H10O2.C10H8N2.Co/c3*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-9,14H;1-8H;/q;;;;+2/p-2.
What are the key properties of bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine?
bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine has a molecular weight of 807.77 g/mol, XLogP of 8.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine is sourced from PubChem (CID 139040813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).