iron(2+);oxalate;bis(1,10-phenanthroline)

C26H16FeN4O4 — CID 26904

IUPACiron(2+);oxalate;bis(1,10-phenanthroline)
SMILESO=C([O-])C(=O)[O-].[Fe+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2H2O4.Fe/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1(4)2(5)6;/h2*1-8H;(H,3,4)(H,5,6);/q;;;+2/p-2
InChIKeyAOCXPZDHIGHAPF-UHFFFAOYSA-L
MW504.28 g/mol
LogP2.05
Rot. Bonds

About iron(2+);oxalate;bis(1,10-phenanthroline)

iron(2+);oxalate;bis(1,10-phenanthroline) (PubChem CID 26904) has the molecular formula C26H16FeN4O4 and a molecular weight of 504.28 g/mol. Its IUPAC name is iron(2+);oxalate;bis(1,10-phenanthroline).

Molecular Properties

Compound Nameiron(2+);oxalate;bis(1,10-phenanthroline)
PubChem CID26904
Molecular FormulaC26H16FeN4O4
Molecular Weight504.28 g/mol
Exact Mass504.05
IUPAC Nameiron(2+);oxalate;bis(1,10-phenanthroline)
SMILESO=C([O-])C(=O)[O-].[Fe+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2H2O4.Fe/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1(4)2(5)6;/h2*1-8H;(H,3,4)(H,5,6);/q;;;+2/p-2
InChIKeyAOCXPZDHIGHAPF-UHFFFAOYSA-L
XLogP2.05
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze iron(2+);oxalate;bis(1,10-phenanthroline) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iron(2+);oxalate;bis(1,10-phenanthroline)?
The IUPAC name of iron(2+);oxalate;bis(1,10-phenanthroline) (CID 26904) is iron(2+);oxalate;bis(1,10-phenanthroline).
What is the SMILES notation for iron(2+);oxalate;bis(1,10-phenanthroline)?
The canonical SMILES for iron(2+);oxalate;bis(1,10-phenanthroline) is O=C([O-])C(=O)[O-].[Fe+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of iron(2+);oxalate;bis(1,10-phenanthroline)?
The InChIKey is AOCXPZDHIGHAPF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.C2H2O4.Fe/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1(4)2(5)6;/h2*1-8H;(H,3,4)(H,5,6);/q;;;+2/p-2.
What are the key properties of iron(2+);oxalate;bis(1,10-phenanthroline)?
iron(2+);oxalate;bis(1,10-phenanthroline) has a molecular weight of 504.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);oxalate;bis(1,10-phenanthroline) is sourced from PubChem (CID 26904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).