iron(3+);methanol;tris(quinolin-8-olate)

C28H22FeN3O4 — CID 139070906

IUPACiron(3+);methanol;tris(quinolin-8-olate)
SMILESCO.[Fe+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.CH4O.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2;/h3*1-6,11H;2H,1H3;/q;;;;+3/p-3
InChIKeyLJSLTJMDLVGDJQ-UHFFFAOYSA-K
MW520.35 g/mol
LogP3.53
Rot. Bonds

About iron(3+);methanol;tris(quinolin-8-olate)

iron(3+);methanol;tris(quinolin-8-olate) (PubChem CID 139070906) has the molecular formula C28H22FeN3O4 and a molecular weight of 520.35 g/mol. Its IUPAC name is iron(3+);methanol;tris(quinolin-8-olate).

Molecular Properties

Compound Nameiron(3+);methanol;tris(quinolin-8-olate)
PubChem CID139070906
Molecular FormulaC28H22FeN3O4
Molecular Weight520.35 g/mol
Exact Mass520.10
IUPAC Nameiron(3+);methanol;tris(quinolin-8-olate)
SMILESCO.[Fe+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.CH4O.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2;/h3*1-6,11H;2H,1H3;/q;;;;+3/p-3
InChIKeyLJSLTJMDLVGDJQ-UHFFFAOYSA-K
XLogP3.53
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze iron(3+);methanol;tris(quinolin-8-olate) with MolForge

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

Launch Full Analysis

Related Compounds

Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
GNF-Pf-3485
CID 2904976
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Zinc oxyquinolate
CID 84127

Frequently Asked Questions

What is the IUPAC name of iron(3+);methanol;tris(quinolin-8-olate)?
The IUPAC name of iron(3+);methanol;tris(quinolin-8-olate) (CID 139070906) is iron(3+);methanol;tris(quinolin-8-olate).
What is the SMILES notation for iron(3+);methanol;tris(quinolin-8-olate)?
The canonical SMILES for iron(3+);methanol;tris(quinolin-8-olate) is CO.[Fe+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of iron(3+);methanol;tris(quinolin-8-olate)?
The InChIKey is LJSLTJMDLVGDJQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H7NO.CH4O.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2;/h3*1-6,11H;2H,1H3;/q;;;;+3/p-3.
What are the key properties of iron(3+);methanol;tris(quinolin-8-olate)?
iron(3+);methanol;tris(quinolin-8-olate) has a molecular weight of 520.35 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);methanol;tris(quinolin-8-olate) is sourced from PubChem (CID 139070906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).