disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate

C50H36Ag2Cl2N8O8 — CID 139198226

IUPACdisilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate
SMILES[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/2C25H18N4.2Ag.2ClHO4/c2*1-2-7-20(8-3-1)24-17-21(18-25(28-24)23-9-4-5-14-26-23)19-10-12-22(13-11-19)29-16-6-15-27-29;;;2*2-1(3,4)5/h2*1-18H;;;2*(H,2,3,4,5)/q;;2*+1;;/p-2
InChIKeyDWEFMRJDIBCRHD-UHFFFAOYSA-L
MW1163.53 g/mol
LogP1.81
Rot. Bonds8

About disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate

disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139198226) has the molecular formula C50H36Ag2Cl2N8O8 and a molecular weight of 1163.53 g/mol. Its IUPAC name is disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namedisilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate
PubChem CID139198226
Molecular FormulaC50H36Ag2Cl2N8O8
Molecular Weight1163.53 g/mol
Exact Mass1160.01
IUPAC Namedisilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate
SMILES[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/2C25H18N4.2Ag.2ClHO4/c2*1-2-7-20(8-3-1)24-17-21(18-25(28-24)23-9-4-5-14-26-23)19-10-12-22(13-11-19)29-16-6-15-27-29;;;2*2-1(3,4)5/h2*1-18H;;;2*(H,2,3,4,5)/q;;2*+1;;/p-2
InChIKeyDWEFMRJDIBCRHD-UHFFFAOYSA-L
XLogP1.81
TPSA271.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.53
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate (CID 139198226) is disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate is [Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is DWEFMRJDIBCRHD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H18N4.2Ag.2ClHO4/c2*1-2-7-20(8-3-1)24-17-21(18-25(28-24)23-9-4-5-14-26-23)19-10-12-22(13-11-19)29-16-6-15-27-29;;;2*2-1(3,4)5/h2*1-18H;;;2*(H,2,3,4,5)/q;;2*+1;;/p-2.
What are the key properties of disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate?
disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 1163.53 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139198226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).