iron(3+);tris(2-methylquinolin-8-olate)

C30H24FeN3O3 — CID 139058244

IUPACiron(3+);tris(2-methylquinolin-8-olate)
SMILESCc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Fe+3]
InChIInChI=1S/3C10H9NO.Fe/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyMBNYRPJGSQHDDG-UHFFFAOYSA-K
MW530.39 g/mol
LogP4.85
Rot. Bonds

About iron(3+);tris(2-methylquinolin-8-olate)

iron(3+);tris(2-methylquinolin-8-olate) (PubChem CID 139058244) has the molecular formula C30H24FeN3O3 and a molecular weight of 530.39 g/mol. Its IUPAC name is iron(3+);tris(2-methylquinolin-8-olate).

Molecular Properties

Compound Nameiron(3+);tris(2-methylquinolin-8-olate)
PubChem CID139058244
Molecular FormulaC30H24FeN3O3
Molecular Weight530.39 g/mol
Exact Mass530.12
IUPAC Nameiron(3+);tris(2-methylquinolin-8-olate)
SMILESCc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Fe+3]
InChIInChI=1S/3C10H9NO.Fe/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h3*2-6,12H,1H3;/q;;;+3/p-3
InChIKeyMBNYRPJGSQHDDG-UHFFFAOYSA-K
XLogP4.85
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylquinolin-8-olate);triphenylsilyloxyaluminum(2+)
CID 87126051
aluminum;bis(2-methylquinolin-8-olate);3-phenylphenolate
CID 22251246
CID 66916636
CID 66916636
CID 6371660
CID 6371660
CID 172780914
CID 172780914
CID 173009222
CID 173009222
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
CID 173129908
2-methyl-8-pyrrol-1-ylquinoline
CID 62952599
CID 69253745
CID 69253745
lithium (2-methylquinolin-8-yl)-trimethylsilylazanide
CID 122402813
CID 87849940
CID 87849940
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758

Frequently Asked Questions

What is the IUPAC name of iron(3+);tris(2-methylquinolin-8-olate)?
The IUPAC name of iron(3+);tris(2-methylquinolin-8-olate) (CID 139058244) is iron(3+);tris(2-methylquinolin-8-olate).
What is the SMILES notation for iron(3+);tris(2-methylquinolin-8-olate)?
The canonical SMILES for iron(3+);tris(2-methylquinolin-8-olate) is Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Fe+3].
What is the InChIKey of iron(3+);tris(2-methylquinolin-8-olate)?
The InChIKey is MBNYRPJGSQHDDG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9NO.Fe/c3*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h3*2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of iron(3+);tris(2-methylquinolin-8-olate)?
iron(3+);tris(2-methylquinolin-8-olate) has a molecular weight of 530.39 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);tris(2-methylquinolin-8-olate) is sourced from PubChem (CID 139058244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).