magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate

C18H12MgN2O+2 — CID 59156362

IUPACmagnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate
SMILES[Mg+2].[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1
InChIInChI=1S/C18H12N2O.Mg/c21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;/h1-11,21H;/q;+2
InChIKeyHSSGQFXASBVJMZ-UHFFFAOYSA-N
MW296.61 g/mol
LogP2.56
Rot. Bonds1

About magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate

magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate (PubChem CID 59156362) has the molecular formula C18H12MgN2O+2 and a molecular weight of 296.61 g/mol. Its IUPAC name is magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate.

Molecular Properties

Compound Namemagnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate
PubChem CID59156362
Molecular FormulaC18H12MgN2O+2
Molecular Weight296.61 g/mol
Exact Mass296.08
IUPAC Namemagnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate
SMILES[Mg+2].[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1
InChIInChI=1S/C18H12N2O.Mg/c21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;/h1-11,21H;/q;+2
InChIKeyHSSGQFXASBVJMZ-UHFFFAOYSA-N
XLogP2.56
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.61
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
zinc bis(quinolin-8-olate)
CID 162394451
iron(2+);bis(quinolin-8-olate)
CID 14497034
palladium(2+);bis(quinolin-8-olate)
CID 15139981
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
2-carboxyphenolate;1,10-phenanthrolin-10-ium
CID 54696347

Frequently Asked Questions

What is the IUPAC name of magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate?
The IUPAC name of magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate (CID 59156362) is magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate.
What is the SMILES notation for magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate?
The canonical SMILES for magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate is [Mg+2].[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.
What is the InChIKey of magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate?
The InChIKey is HSSGQFXASBVJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O.Mg/c21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;/h1-11,21H;/q;+2.
What are the key properties of magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate?
magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate has a molecular weight of 296.61 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate is sourced from PubChem (CID 59156362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).