dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate

C36H48Cl6Fe2K2N20O24 — CID 139151851

IUPACdipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate
SMILESC(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[nH]1.C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[nH]1.[Fe+2].[Fe+2].[K+].[K+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C18H24N10.6ClHO4.2Fe.2K/c2*1-2-23-16(22-1)13-19-7-10-28(11-8-20-14-17-24-3-4-25-17)12-9-21-15-18-26-5-6-27-18;6*2-1(3,4)5;;;;/h2*1-6,13-15H,7-12H2,(H,22,23)(H,24,25)(H,26,27);6*(H,2,3,4,5);;;;/q;;;;;;;;2*+2;2*+1/p-6/b2*19-13+,20-14+,21-15+;;;;;;;;;;
InChIKeyCRXWDVBSSFDRKE-QPNMZMARSA-H
MW1547.50 g/mol
LogP-32.90
Rot. Bonds24

About dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate

dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate (PubChem CID 139151851) has the molecular formula C36H48Cl6Fe2K2N20O24 and a molecular weight of 1547.50 g/mol. Its IUPAC name is dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate.

Molecular Properties

Compound Namedipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate
PubChem CID139151851
Molecular FormulaC36H48Cl6Fe2K2N20O24
Molecular Weight1547.50 g/mol
Exact Mass1543.93
IUPAC Namedipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate
SMILESC(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[nH]1.C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[nH]1.[Fe+2].[Fe+2].[K+].[K+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C18H24N10.6ClHO4.2Fe.2K/c2*1-2-23-16(22-1)13-19-7-10-28(11-8-20-14-17-24-3-4-25-17)12-9-21-15-18-26-5-6-27-18;6*2-1(3,4)5;;;;/h2*1-6,13-15H,7-12H2,(H,22,23)(H,24,25)(H,26,27);6*(H,2,3,4,5);;;;/q;;;;;;;;2*+2;2*+1/p-6/b2*19-13+,20-14+,21-15+;;;;;;;;;;
InChIKeyCRXWDVBSSFDRKE-QPNMZMARSA-H
XLogP-32.90
TPSA806.16 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001547.50
LogP ≤ 5-32.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate?
The IUPAC name of dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate (CID 139151851) is dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate.
What is the SMILES notation for dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate?
The canonical SMILES for dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate is C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[nH]1.C(=N/CCN(CC/N=C/c1ncc[nH]1)CC/N=C/c1ncc[nH]1)\c1ncc[nH]1.[Fe+2].[Fe+2].[K+].[K+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate?
The InChIKey is CRXWDVBSSFDRKE-QPNMZMARSA-H. The full InChI is InChI=1S/2C18H24N10.6ClHO4.2Fe.2K/c2*1-2-23-16(22-1)13-19-7-10-28(11-8-20-14-17-24-3-4-25-17)12-9-21-15-18-26-5-6-27-18;6*2-1(3,4)5;;;;/h2*1-6,13-15H,7-12H2,(H,22,23)(H,24,25)(H,26,27);6*(H,2,3,4,5);;;;/q;;;;;;;;2*+2;2*+1/p-6/b2*19-13+,20-14+,21-15+;;;;;;;;;;.
What are the key properties of dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate?
dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate has a molecular weight of 1547.50 g/mol, XLogP of -32.90, 24 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate is sourced from PubChem (CID 139151851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).