cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)

C90H46Cl20Co2Dy2N4O20-2 — CID 139142230

IUPACcobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Co+2].[Co+3].[Dy+3].[Dy].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.10C7H4Cl2O2.2Co.2Dy/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;10*8-5-1-4(7(10)11)2-6(9)3-5;;;;/h2*1-8H;10*1-3H,(H,10,11);;;;/q;;;;;;;;;;;;+2;+3;;+3/p-10
InChIKeyRMIMMRVCVOURQQ-UHFFFAOYSA-D
MW2655.29 g/mol
LogP17.85
Rot. Bonds12

About cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)

cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine) (PubChem CID 139142230) has the molecular formula C90H46Cl20Co2Dy2N4O20-2 and a molecular weight of 2655.29 g/mol. Its IUPAC name is cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)
PubChem CID139142230
Molecular FormulaC90H46Cl20Co2Dy2N4O20-2
Molecular Weight2655.29 g/mol
Exact Mass2647.37
IUPAC Namecobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Co+2].[Co+3].[Dy+3].[Dy].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.10C7H4Cl2O2.2Co.2Dy/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;10*8-5-1-4(7(10)11)2-6(9)3-5;;;;/h2*1-8H;10*1-3H,(H,10,11);;;;/q;;;;;;;;;;;;+2;+3;;+3/p-10
InChIKeyRMIMMRVCVOURQQ-UHFFFAOYSA-D
XLogP17.85
TPSA452.86 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.29
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine) (CID 139142230) is cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine) is O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Co+2].[Co+3].[Dy+3].[Dy].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)?
The InChIKey is RMIMMRVCVOURQQ-UHFFFAOYSA-D. The full InChI is InChI=1S/2C10H8N2.10C7H4Cl2O2.2Co.2Dy/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;10*8-5-1-4(7(10)11)2-6(9)3-5;;;;/h2*1-8H;10*1-3H,(H,10,11);;;;/q;;;;;;;;;;;;+2;+3;;+3/p-10.
What are the key properties of cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine)?
cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine) has a molecular weight of 2655.29 g/mol, XLogP of 17.85, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);cobalt(3+);decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139142230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).