bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide

C72H48Co2I12N12 — CID 139068271

IUPACbis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
SMILESI[I-]I.I[I-]I.I[I-]I.I[I-]I.[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/6C12H8N2.2Co.4I3/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;4*1-3-2/h6*1-8H;;;;;;/q;;;;;;2*+2;4*-1
InChIKeyDSMVAEGYNCKKKU-UHFFFAOYSA-N
MW2721.97 g/mol
LogP11.79
Rot. Bonds

About bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide

bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide (PubChem CID 139068271) has the molecular formula C72H48Co2I12N12 and a molecular weight of 2721.97 g/mol. Its IUPAC name is bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide.

Molecular Properties

Compound Namebis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
PubChem CID139068271
Molecular FormulaC72H48Co2I12N12
Molecular Weight2721.97 g/mol
Exact Mass2721.13
IUPAC Namebis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
SMILESI[I-]I.I[I-]I.I[I-]I.I[I-]I.[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/6C12H8N2.2Co.4I3/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;4*1-3-2/h6*1-8H;;;;;;/q;;;;;;2*+2;4*-1
InChIKeyDSMVAEGYNCKKKU-UHFFFAOYSA-N
XLogP11.79
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002721.97
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
carbanide;1,10-phenanthroline;bis(trioxorhenium)
CID 59270684

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide?
The IUPAC name of bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide (CID 139068271) is bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide.
What is the SMILES notation for bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide?
The canonical SMILES for bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide is I[I-]I.I[I-]I.I[I-]I.I[I-]I.[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide?
The InChIKey is DSMVAEGYNCKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H8N2.2Co.4I3/c6*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;4*1-3-2/h6*1-8H;;;;;;/q;;;;;;2*+2;4*-1.
What are the key properties of bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide?
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide has a molecular weight of 2721.97 g/mol, XLogP of 11.79, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide is sourced from PubChem (CID 139068271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).