zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate

C42H30Cl2N6O8Zn — CID 139157400

IUPACzinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2ClHO4.Zn/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*2-1(3,4)5;/h2*1-15H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyKGIWEFUUYYRPDI-UHFFFAOYSA-L
MW883.03 g/mol
LogP0.23
Rot. Bonds6

About zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate

zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate (PubChem CID 139157400) has the molecular formula C42H30Cl2N6O8Zn and a molecular weight of 883.03 g/mol. Its IUPAC name is zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namezinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate
PubChem CID139157400
Molecular FormulaC42H30Cl2N6O8Zn
Molecular Weight883.03 g/mol
Exact Mass880.08
IUPAC Namezinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2ClHO4.Zn/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*2-1(3,4)5;/h2*1-15H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyKGIWEFUUYYRPDI-UHFFFAOYSA-L
XLogP0.23
TPSA261.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.03
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
CID 139153054
Bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate
CID 139163369
Gross107 (Sudhakar)
CID 139174614
tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))
CID 139180942

Frequently Asked Questions

What is the IUPAC name of zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate?
The IUPAC name of zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate (CID 139157400) is zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate?
The InChIKey is KGIWEFUUYYRPDI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H15N3.2ClHO4.Zn/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*2-1(3,4)5;/h2*1-15H;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate?
zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate has a molecular weight of 883.03 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(4-phenyl-2,6-dipyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139157400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).