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

C29H24FeN3O4 — CID 139055620

IUPACethanol;iron(3+);tris(quinolin-8-olate)
SMILESCCO.[Fe+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.C2H6O.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-3;/h3*1-6,11H;3H,2H2,1H3;/q;;;;+3/p-3
InChIKeyMFVTVLBTZGWXMA-UHFFFAOYSA-K
MW534.37 g/mol
LogP3.92
Rot. Bonds

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

ethanol;iron(3+);tris(quinolin-8-olate) (PubChem CID 139055620) has the molecular formula C29H24FeN3O4 and a molecular weight of 534.37 g/mol. Its IUPAC name is ethanol;iron(3+);tris(quinolin-8-olate).

Molecular Properties

Compound Nameethanol;iron(3+);tris(quinolin-8-olate)
PubChem CID139055620
Molecular FormulaC29H24FeN3O4
Molecular Weight534.37 g/mol
Exact Mass534.11
IUPAC Nameethanol;iron(3+);tris(quinolin-8-olate)
SMILESCCO.[Fe+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.C2H6O.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-3;/h3*1-6,11H;3H,2H2,1H3;/q;;;;+3/p-3
InChIKeyMFVTVLBTZGWXMA-UHFFFAOYSA-K
XLogP3.92
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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 ethanol;iron(3+);tris(quinolin-8-olate)?
The IUPAC name of ethanol;iron(3+);tris(quinolin-8-olate) (CID 139055620) is ethanol;iron(3+);tris(quinolin-8-olate).
What is the SMILES notation for ethanol;iron(3+);tris(quinolin-8-olate)?
The canonical SMILES for ethanol;iron(3+);tris(quinolin-8-olate) is CCO.[Fe+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of ethanol;iron(3+);tris(quinolin-8-olate)?
The InChIKey is MFVTVLBTZGWXMA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H7NO.C2H6O.Fe/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-3;/h3*1-6,11H;3H,2H2,1H3;/q;;;;+3/p-3.
What are the key properties of ethanol;iron(3+);tris(quinolin-8-olate)?
ethanol;iron(3+);tris(quinolin-8-olate) has a molecular weight of 534.37 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;iron(3+);tris(quinolin-8-olate) is sourced from PubChem (CID 139055620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).