tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)

C50H46Co4N10O8 — CID 139049864

IUPACtetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)
SMILES[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccn1.[O-]c1ccccn1.[O-]c1ccccn1.[O-]c1ccccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5NO.6C5H5N.4Co.4O/c4*7-5-3-1-2-4-6-5;6*1-2-4-6-5-3-1;;;;;;;;/h4*1-4H,(H,6,7);6*1-5H;;;;;;;;/q;;;;;;;;;;4*+3;4*-2/p-4
InChIKeyYPDBVDJYEUDFNR-UHFFFAOYSA-J
MW1150.71 g/mol
LogP6.63
Rot. Bonds

About tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)

tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate) (PubChem CID 139049864) has the molecular formula C50H46Co4N10O8 and a molecular weight of 1150.71 g/mol. Its IUPAC name is tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate).

Molecular Properties

Compound Nametetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)
PubChem CID139049864
Molecular FormulaC50H46Co4N10O8
Molecular Weight1150.71 g/mol
Exact Mass1150.08
IUPAC Nametetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)
SMILES[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccn1.[O-]c1ccccn1.[O-]c1ccccn1.[O-]c1ccccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5NO.6C5H5N.4Co.4O/c4*7-5-3-1-2-4-6-5;6*1-2-4-6-5-3-1;;;;;;;;/h4*1-4H,(H,6,7);6*1-5H;;;;;;;;/q;;;;;;;;;;4*+3;4*-2/p-4
InChIKeyYPDBVDJYEUDFNR-UHFFFAOYSA-J
XLogP6.63
TPSA335.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.71
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate) 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 tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)?
The IUPAC name of tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate) (CID 139049864) is tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate).
What is the SMILES notation for tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)?
The canonical SMILES for tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate) is [Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[O-]c1ccccn1.[O-]c1ccccn1.[O-]c1ccccn1.[O-]c1ccccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)?
The InChIKey is YPDBVDJYEUDFNR-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5NO.6C5H5N.4Co.4O/c4*7-5-3-1-2-4-6-5;6*1-2-4-6-5-3-1;;;;;;;;/h4*1-4H,(H,6,7);6*1-5H;;;;;;;;/q;;;;;;;;;;4*+3;4*-2/p-4.
What are the key properties of tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate)?
tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate) has a molecular weight of 1150.71 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(3+));tetrakis(oxygen(2-));hexakis(pyridine);tetrakis(pyridin-2-olate) is sourced from PubChem (CID 139049864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).