bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline

C38H26CoN2O4 — CID 139040814

IUPACbis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
SMILESO=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C13H10O2.C12H8N2.Co/c2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-9,14H;1-8H;/q;;;+2/p-2
InChIKeyNINGLRFGEPRNDI-UHFFFAOYSA-L
MW633.57 g/mol
LogP6.76
Rot. Bonds4

About bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline

bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline (PubChem CID 139040814) has the molecular formula C38H26CoN2O4 and a molecular weight of 633.57 g/mol. Its IUPAC name is bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline.

Molecular Properties

Compound Namebis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
PubChem CID139040814
Molecular FormulaC38H26CoN2O4
Molecular Weight633.57 g/mol
Exact Mass633.12
IUPAC Namebis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
SMILESO=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C13H10O2.C12H8N2.Co/c2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-9,14H;1-8H;/q;;;+2/p-2
InChIKeyNINGLRFGEPRNDI-UHFFFAOYSA-L
XLogP6.76
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.57
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); hexafluorophosphate
CID 6481871
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate
CID 11980896
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-oxobut-2-en-2-olate)
CID 168339180
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606785
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606787
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606814
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606815
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798406

Frequently Asked Questions

What is the IUPAC name of bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline?
The IUPAC name of bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline (CID 139040814) is bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline.
What is the SMILES notation for bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline?
The canonical SMILES for bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline is O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline?
The InChIKey is NINGLRFGEPRNDI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10O2.C12H8N2.Co/c2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-9,14H;1-8H;/q;;;+2/p-2.
What are the key properties of bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline?
bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline has a molecular weight of 633.57 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline is sourced from PubChem (CID 139040814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).