tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate

C48H50Cl2Cu3FeN23O26 — CID 139133607

IUPACtricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate
SMILESN/C(=N/N=C(\[O-])c1ccccn1)c1ccccn1.N/C(=N\N=C(/[O-])c1ccccn1)c1ccccn1.N/C(=N\N=C(/[O-])c1ccccn1)c1ccccn1.NC(=N/N=C(\[O-])c1ccccn1)c1ccccn1.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C12H11N5O.2ClHO4.3Cu.Fe.3NO3.5H2O/c4*13-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10;2*2-1(3,4)5;;;;;3*2-1(3)4;;;;;/h4*1-8H,(H2,13,16)(H,17,18);2*(H,2,3,4,5);;;;;;;;5*1H2/q;;;;;;3*+2;+3;3*-1;;;;;/p-6
InChIKeyHZZVDQHVZSKFRH-UHFFFAOYSA-H
MW1682.45 g/mol
LogP-14.75
Rot. Bonds12

About tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate

tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate (PubChem CID 139133607) has the molecular formula C48H50Cl2Cu3FeN23O26 and a molecular weight of 1682.45 g/mol. Its IUPAC name is tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate.

Molecular Properties

Compound Nametricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate
PubChem CID139133607
Molecular FormulaC48H50Cl2Cu3FeN23O26
Molecular Weight1682.45 g/mol
Exact Mass1678.99
IUPAC Nametricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate
SMILESN/C(=N/N=C(\[O-])c1ccccn1)c1ccccn1.N/C(=N\N=C(/[O-])c1ccccn1)c1ccccn1.N/C(=N\N=C(/[O-])c1ccccn1)c1ccccn1.NC(=N/N=C(\[O-])c1ccccn1)c1ccccn1.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C12H11N5O.2ClHO4.3Cu.Fe.3NO3.5H2O/c4*13-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10;2*2-1(3,4)5;;;;;3*2-1(3)4;;;;;/h4*1-8H,(H2,13,16)(H,17,18);2*(H,2,3,4,5);;;;;;;;5*1H2/q;;;;;;3*+2;+3;3*-1;;;;;/p-6
InChIKeyHZZVDQHVZSKFRH-UHFFFAOYSA-H
XLogP-14.75
TPSA938.90 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.45
LogP ≤ 5-14.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate 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 tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate?
The IUPAC name of tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate (CID 139133607) is tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate.
What is the SMILES notation for tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate?
The canonical SMILES for tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate is N/C(=N/N=C(\[O-])c1ccccn1)c1ccccn1.N/C(=N\N=C(/[O-])c1ccccn1)c1ccccn1.N/C(=N\N=C(/[O-])c1ccccn1)c1ccccn1.NC(=N/N=C(\[O-])c1ccccn1)c1ccccn1.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate?
The InChIKey is HZZVDQHVZSKFRH-UHFFFAOYSA-H. The full InChI is InChI=1S/4C12H11N5O.2ClHO4.3Cu.Fe.3NO3.5H2O/c4*13-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10;2*2-1(3,4)5;;;;;3*2-1(3)4;;;;;/h4*1-8H,(H2,13,16)(H,17,18);2*(H,2,3,4,5);;;;;;;;5*1H2/q;;;;;;3*+2;+3;3*-1;;;;;/p-6.
What are the key properties of tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate?
tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate has a molecular weight of 1682.45 g/mol, XLogP of -14.75, 12 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tetrakis((NZ,2Z)-N-[amino(pyridin-2-yl)methylidene]pyridine-2-carbohydrazonate);iron(3+);trinitrate;diperchlorate;pentahydrate is sourced from PubChem (CID 139133607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).