bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline

C40H30CoN2O4 — CID 139049178

IUPACbis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2]
InChIInChI=1S/C14H12N2.2C13H10O2.Co/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;/h3-8H,1-2H3;2*1-9,14H;/q;;;+2/p-2
InChIKeyPQXZNIBLLITABF-UHFFFAOYSA-L
MW661.62 g/mol
LogP7.38
Rot. Bonds4

About bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline

bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline (PubChem CID 139049178) has the molecular formula C40H30CoN2O4 and a molecular weight of 661.62 g/mol. Its IUPAC name is bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline.

Molecular Properties

Compound Namebis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline
PubChem CID139049178
Molecular FormulaC40H30CoN2O4
Molecular Weight661.62 g/mol
Exact Mass661.15
IUPAC Namebis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2]
InChIInChI=1S/C14H12N2.2C13H10O2.Co/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;/h3-8H,1-2H3;2*1-9,14H;/q;;;+2/p-2
InChIKeyPQXZNIBLLITABF-UHFFFAOYSA-L
XLogP7.38
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.62
LogP ≤ 57.38
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
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
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
2-(4-Dibenzofuran-4-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049864
2-(3-Dibenzofuran-2-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049865
2-(4-Dibenzofuran-2-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 134410342
2-[4-(8,9-Dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline
CID 134446065
tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline;ytterbium(3+)
CID 139039575
Bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
CID 139040814
(5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)
CID 139056657

Frequently Asked Questions

What is the IUPAC name of bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline?
The IUPAC name of bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline (CID 139049178) is bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline.
What is the SMILES notation for bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline?
The canonical SMILES for bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline is Cc1ccc2ccc3ccc(C)nc3c2n1.O=C(c1ccccc1)c1ccccc1[O-].O=C(c1ccccc1)c1ccccc1[O-].[Co+2].
What is the InChIKey of bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline?
The InChIKey is PQXZNIBLLITABF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12N2.2C13H10O2.Co/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;/h3-8H,1-2H3;2*1-9,14H;/q;;;+2/p-2.
What are the key properties of bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline?
bis(2-benzoylphenolate);cobalt(2+);2,9-dimethyl-1,10-phenanthroline has a molecular weight of 661.62 g/mol, XLogP of 7.38, 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+);2,9-dimethyl-1,10-phenanthroline is sourced from PubChem (CID 139049178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).