iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate

C36H36Cl2FeN6O8 — CID 165360862

IUPACiron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C12H12N2.2ClHO4.Fe/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*2-1(3,4)5;/h3*3-8H,1-2H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyUXQBFXUMRXYTJZ-UHFFFAOYSA-L
MW807.47 g/mol
LogP-1.23
Rot. Bonds3

About iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate

iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate (PubChem CID 165360862) has the molecular formula C36H36Cl2FeN6O8 and a molecular weight of 807.47 g/mol. Its IUPAC name is iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate.

Molecular Properties

Compound Nameiron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate
PubChem CID165360862
Molecular FormulaC36H36Cl2FeN6O8
Molecular Weight807.47 g/mol
Exact Mass806.13
IUPAC Nameiron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3C12H12N2.2ClHO4.Fe/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*2-1(3,4)5;/h3*3-8H,1-2H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyUXQBFXUMRXYTJZ-UHFFFAOYSA-L
XLogP-1.23
TPSA261.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.47
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate 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+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate?
The IUPAC name of iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate (CID 165360862) is iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate.
What is the SMILES notation for iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate?
The canonical SMILES for iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate?
The InChIKey is UXQBFXUMRXYTJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H12N2.2ClHO4.Fe/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*2-1(3,4)5;/h3*3-8H,1-2H3;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate?
iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate has a molecular weight of 807.47 g/mol, XLogP of -1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);diperchlorate is sourced from PubChem (CID 165360862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).