iron(2+);tris(2-pyridin-2-ylpyridine)

C30H24FeN6+2 — CID 6857601

IUPACiron(2+);tris(2-pyridin-2-ylpyridine)
SMILES[Fe+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;/q;;;+2
InChIKeyIXBAONBNPIGDAJ-UHFFFAOYSA-N
MW524.41 g/mol
LogP6.43
Rot. Bonds3

About iron(2+);tris(2-pyridin-2-ylpyridine)

iron(2+);tris(2-pyridin-2-ylpyridine) (PubChem CID 6857601) has the molecular formula C30H24FeN6+2 and a molecular weight of 524.41 g/mol. Its IUPAC name is iron(2+);tris(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Nameiron(2+);tris(2-pyridin-2-ylpyridine)
PubChem CID6857601
Molecular FormulaC30H24FeN6+2
Molecular Weight524.41 g/mol
Exact Mass524.14
IUPAC Nameiron(2+);tris(2-pyridin-2-ylpyridine)
SMILES[Fe+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;/q;;;+2
InChIKeyIXBAONBNPIGDAJ-UHFFFAOYSA-N
XLogP6.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.41
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(2+);tris(2-pyridin-2-ylpyridine)?
The IUPAC name of iron(2+);tris(2-pyridin-2-ylpyridine) (CID 6857601) is iron(2+);tris(2-pyridin-2-ylpyridine).
What is the SMILES notation for iron(2+);tris(2-pyridin-2-ylpyridine)?
The canonical SMILES for iron(2+);tris(2-pyridin-2-ylpyridine) is [Fe+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of iron(2+);tris(2-pyridin-2-ylpyridine)?
The InChIKey is IXBAONBNPIGDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;/q;;;+2.
What are the key properties of iron(2+);tris(2-pyridin-2-ylpyridine)?
iron(2+);tris(2-pyridin-2-ylpyridine) has a molecular weight of 524.41 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);tris(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 6857601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).