magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate

C24H16MgN2O2+2 — CID 59156361

IUPACmagnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate
SMILES[Mg+2].[O-]c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4[O-])[nH+]c3c2[nH+]1
InChIInChI=1S/C24H16N2O2.Mg/c27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;/h1-14,27-28H;/q;+2
InChIKeyXAYMGBLLSYTMED-UHFFFAOYSA-N
MW388.71 g/mol
LogP2.72
Rot. Bonds2

About magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate

magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate (PubChem CID 59156361) has the molecular formula C24H16MgN2O2+2 and a molecular weight of 388.71 g/mol. Its IUPAC name is magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate.

Molecular Properties

Compound Namemagnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate
PubChem CID59156361
Molecular FormulaC24H16MgN2O2+2
Molecular Weight388.71 g/mol
Exact Mass388.11
IUPAC Namemagnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate
SMILES[Mg+2].[O-]c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4[O-])[nH+]c3c2[nH+]1
InChIInChI=1S/C24H16N2O2.Mg/c27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;/h1-14,27-28H;/q;+2
InChIKeyXAYMGBLLSYTMED-UHFFFAOYSA-N
XLogP2.72
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate?
The IUPAC name of magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate (CID 59156361) is magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate.
What is the SMILES notation for magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate?
The canonical SMILES for magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate is [Mg+2].[O-]c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4[O-])[nH+]c3c2[nH+]1.
What is the InChIKey of magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate?
The InChIKey is XAYMGBLLSYTMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2.Mg/c27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;/h1-14,27-28H;/q;+2.
What are the key properties of magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate?
magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate has a molecular weight of 388.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-[9-(2-oxidophenyl)-1,10-phenanthroline-1,10-diium-2-yl]phenolate is sourced from PubChem (CID 59156361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).