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

C90H46Cl20Dy2N4Ni2O20-2 — CID 139142234

IUPACdecakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(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.[Dy+3].[Dy].[Ni+2].[Ni+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.10C7H4Cl2O2.2Dy.2Ni/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;;;;;;;;;;;;;+3;+2;+3/p-10
InChIKeyGVDLEHINZUADDR-UHFFFAOYSA-D
MW2654.81 g/mol
LogP17.85
Rot. Bonds12

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

decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine) (PubChem CID 139142234) has the molecular formula C90H46Cl20Dy2N4Ni2O20-2 and a molecular weight of 2654.81 g/mol. Its IUPAC name is decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namedecakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine)
PubChem CID139142234
Molecular FormulaC90H46Cl20Dy2N4Ni2O20-2
Molecular Weight2654.81 g/mol
Exact Mass2645.38
IUPAC Namedecakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(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.[Dy+3].[Dy].[Ni+2].[Ni+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.10C7H4Cl2O2.2Dy.2Ni/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;;;;;;;;;;;;;+3;+2;+3/p-10
InChIKeyGVDLEHINZUADDR-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 ≤ 5002654.81
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine) (CID 139142234) is decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(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.[Dy+3].[Dy].[Ni+2].[Ni+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine)?
The InChIKey is GVDLEHINZUADDR-UHFFFAOYSA-D. The full InChI is InChI=1S/2C10H8N2.10C7H4Cl2O2.2Dy.2Ni/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;;;;;;;;;;;;;+3;+2;+3/p-10.
What are the key properties of decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine)?
decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine) has a molecular weight of 2654.81 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 decakis(3,5-dichlorobenzoate);dysprosium;dysprosium(3+);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139142234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).