copper(1+);bis(1,10-phenanthroline);iodide

C24H16CuIN4 — CID 139058797

IUPACcopper(1+);bis(1,10-phenanthroline);iodide
SMILES[Cu+].[I-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Cu.HI/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;;1H/q;;+1;/p-1
InChIKeyBVQASKZVCPRFTK-UHFFFAOYSA-M
MW550.87 g/mol
LogP2.57
Rot. Bonds

About copper(1+);bis(1,10-phenanthroline);iodide

copper(1+);bis(1,10-phenanthroline);iodide (PubChem CID 139058797) has the molecular formula C24H16CuIN4 and a molecular weight of 550.87 g/mol. Its IUPAC name is copper(1+);bis(1,10-phenanthroline);iodide.

Molecular Properties

Compound Namecopper(1+);bis(1,10-phenanthroline);iodide
PubChem CID139058797
Molecular FormulaC24H16CuIN4
Molecular Weight550.87 g/mol
Exact Mass549.97
IUPAC Namecopper(1+);bis(1,10-phenanthroline);iodide
SMILES[Cu+].[I-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Cu.HI/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;;1H/q;;+1;/p-1
InChIKeyBVQASKZVCPRFTK-UHFFFAOYSA-M
XLogP2.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.87
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper(1+);bis(1,10-phenanthroline);iodide 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 copper(1+);bis(1,10-phenanthroline);iodide?
The IUPAC name of copper(1+);bis(1,10-phenanthroline);iodide (CID 139058797) is copper(1+);bis(1,10-phenanthroline);iodide.
What is the SMILES notation for copper(1+);bis(1,10-phenanthroline);iodide?
The canonical SMILES for copper(1+);bis(1,10-phenanthroline);iodide is [Cu+].[I-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper(1+);bis(1,10-phenanthroline);iodide?
The InChIKey is BVQASKZVCPRFTK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H8N2.Cu.HI/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;;1H/q;;+1;/p-1.
What are the key properties of copper(1+);bis(1,10-phenanthroline);iodide?
copper(1+);bis(1,10-phenanthroline);iodide has a molecular weight of 550.87 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(1,10-phenanthroline);iodide is sourced from PubChem (CID 139058797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).