octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)

C96H112Co8N16O24 — CID 139140838

IUPACoctakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)
SMILESCO.CO.CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1
InChIInChI=1S/8C11H11N2O2.8CH4O.8Co/c8*14-8-7-13-6-5-10(12-13)9-3-1-2-4-11(9)15;8*1-2;;;;;;;;/h8*1-6,15H,7-8H2;8*2H,1H3;;;;;;;;/q8*-1;;;;;;;;;8*+2/p-8
InChIKeyAFWPLOJAJWQLTE-UHFFFAOYSA-F
MW2345.50 g/mol
LogP-3.28
Rot. Bonds24

About octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)

octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate) (PubChem CID 139140838) has the molecular formula C96H112Co8N16O24 and a molecular weight of 2345.50 g/mol. Its IUPAC name is octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate).

Molecular Properties

Compound Nameoctakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)
PubChem CID139140838
Molecular FormulaC96H112Co8N16O24
Molecular Weight2345.50 g/mol
Exact Mass2344.27
IUPAC Nameoctakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)
SMILESCO.CO.CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1
InChIInChI=1S/8C11H11N2O2.8CH4O.8Co/c8*14-8-7-13-6-5-10(12-13)9-3-1-2-4-11(9)15;8*1-2;;;;;;;;/h8*1-6,15H,7-8H2;8*2H,1H3;;;;;;;;/q8*-1;;;;;;;;;8*+2/p-8
InChIKeyAFWPLOJAJWQLTE-UHFFFAOYSA-F
XLogP-3.28
TPSA673.36 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.50
LogP ≤ 5-3.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate) 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

Octakis(manganese(3+));oxolane;tetrakis(oxygen(2-));heptakis(2-pyrazol-1-id-3-ylphenolate);2-pyrazol-2-id-3-ylphenolate
CID 139161445
Ethanol;octakis(manganese(3+));tetrakis(oxygen(2-));tris(2-pyrazol-1-id-3-ylphenolate);pentakis(2-pyrazol-2-id-3-ylphenolate)
CID 139161446
(m2-oxo)-bis(bis(2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O)-iron(III))
CID 139172600
Dicopper;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate
CID 139175503
Dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate
CID 139175504
tetrakis(gadolinium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179211
tetrakis(holmium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179212
Tetraoxidanium;tetrakis(nickel(2+));tetrakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate);tetrakis(propan-2-one)
CID 168337763
2-Phenyl-5-[2-[3-[2-(4-phenylbenzene-5-id-1-yl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]cyclohexyl]ethyl]pyridine;2-phenyl-5-[2-[3-[2-(4-phenylbenzene-5-id-1-yl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine;2-(6-phenyl-2-pyridinyl)phenol;platinum(2+);bis(platinum(4+));2-(3-pyrazol-1-ylbenzene-2-id-1-yl)phenol
CID 159440935
3,5-Dimethyl-2,6-di(phenyl)pyridine;tris(2-(3,5-dimethyl-6-phenyl-2-pyridinyl)phenol);2,6-di(phenyl)pyridine;phenylbenzene;platinum;platinum(2+);platinum(4+);2-(3-pyrazol-1-ylbenzene-2-id-1-yl)phenol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine
CID 160610377

Frequently Asked Questions

What is the IUPAC name of octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)?
The IUPAC name of octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate) (CID 139140838) is octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate).
What is the SMILES notation for octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)?
The canonical SMILES for octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate) is CO.CO.CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.[O-]CCn1ccc(-c2ccccc2[O-])n1.
What is the InChIKey of octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)?
The InChIKey is AFWPLOJAJWQLTE-UHFFFAOYSA-F. The full InChI is InChI=1S/8C11H11N2O2.8CH4O.8Co/c8*14-8-7-13-6-5-10(12-13)9-3-1-2-4-11(9)15;8*1-2;;;;;;;;/h8*1-6,15H,7-8H2;8*2H,1H3;;;;;;;;/q8*-1;;;;;;;;;8*+2/p-8.
What are the key properties of octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate)?
octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate) has a molecular weight of 2345.50 g/mol, XLogP of -3.28, 24 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(cobalt(2+));methanol;octakis(2-[1-(2-oxidoethyl)pyrazol-3-yl]phenolate) is sourced from PubChem (CID 139140838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).