mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate

C26H28Cl2HgN6O8 — CID 139117761

IUPACmercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
SMILES[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C26H28N6.2ClHO4.Hg/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26;2*2-1(3,4)5;/h1-16H,17-22H2;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyKEUYMSXYJUIILE-UHFFFAOYSA-L
MW824.04 g/mol
LogP-5.54
Rot. Bonds11

About mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate

mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate (PubChem CID 139117761) has the molecular formula C26H28Cl2HgN6O8 and a molecular weight of 824.04 g/mol. Its IUPAC name is mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate.

Molecular Properties

Compound Namemercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
PubChem CID139117761
Molecular FormulaC26H28Cl2HgN6O8
Molecular Weight824.04 g/mol
Exact Mass824.11
IUPAC Namemercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
SMILES[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C26H28N6.2ClHO4.Hg/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26;2*2-1(3,4)5;/h1-16H,17-22H2;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyKEUYMSXYJUIILE-UHFFFAOYSA-L
XLogP-5.54
TPSA242.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 5-5.54
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
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
bis(europium(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139129491
(La(tpen)(Otf)3).CH3CN
CID 139152415
N,N-bis(pyridin-2-ylmethyl)-1-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanamine;manganese(2+);bis(trifluoromethanesulfonate)
CID 139168628
RuPDP(COD)OTf
CID 139169569
bis(N,N'-dimethyl-N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine);bis(iron(4+));tetrakis(trifluoromethanesulfonate)
CID 168333139
Bis(acetonitrile);bis(iron(5+));bis(1-methyl-4,7-bis(pyridin-2-ylmethyl)-1,4,7-triazonane);tetrakis(trifluoromethanesulfonate)
CID 168333300
bis(acetonitrile);iron(3+);bis(iron(4+));tris(oxygen(2-));tris(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 168337013
bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(trifluoromethanesulfonate);dihydroxide
CID 168337016

Frequently Asked Questions

What is the IUPAC name of mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?
The IUPAC name of mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate (CID 139117761) is mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate.
What is the SMILES notation for mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?
The canonical SMILES for mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate is [Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?
The InChIKey is KEUYMSXYJUIILE-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H28N6.2ClHO4.Hg/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26;2*2-1(3,4)5;/h1-16H,17-22H2;2*(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?
mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate has a molecular weight of 824.04 g/mol, XLogP of -5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine;diperchlorate is sourced from PubChem (CID 139117761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).