Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)

C24H78N18Ni3S8Sb2-4 — CID 139058100

IUPAC—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.[Ni+3].[Ni+3].[Ni+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Sb+3].[Sb]
InChIInChI=1S/6C4H13N3.3Ni.8S.2Sb/c6*5-1-3-7-4-2-6;;;;;;;;;;;;;/h6*7H,1-6H2;;;;;;;;;;;;;/q;;;;;;3*+3;8*-2;;+3
InChIKeyCMJLZNWKQIKMGV-UHFFFAOYSA-N
MW1295.15 g/mol
LogP-9.83
Rot. Bonds24

About Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)

Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate) (PubChem CID 139058100) has the molecular formula C24H78N18Ni3S8Sb2-4 and a molecular weight of 1295.15 g/mol.

Molecular Properties

Compound NameTris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)
PubChem CID139058100
Molecular FormulaC24H78N18Ni3S8Sb2-4
Molecular Weight1295.15 g/mol
Exact Mass1290.06
IUPAC Name—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.[Ni+3].[Ni+3].[Ni+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Sb+3].[Sb]
InChIInChI=1S/6C4H13N3.3Ni.8S.2Sb/c6*5-1-3-7-4-2-6;;;;;;;;;;;;;/h6*7H,1-6H2;;;;;;;;;;;;;/q;;;;;;3*+3;8*-2;;+3
InChIKeyCMJLZNWKQIKMGV-UHFFFAOYSA-N
XLogP-9.83
TPSA384.42 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.15
LogP ≤ 5-9.83
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)?
The IUPAC name of Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate) (CID 139058100) is not available.
What is the SMILES notation for Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)?
The canonical SMILES for Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate) is NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.[Ni+3].[Ni+3].[Ni+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Sb+3].[Sb].
What is the InChIKey of Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)?
The InChIKey is CMJLZNWKQIKMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H13N3.3Ni.8S.2Sb/c6*5-1-3-7-4-2-6;;;;;;;;;;;;;/h6*7H,1-6H2;;;;;;;;;;;;;/q;;;;;;3*+3;8*-2;;+3.
What are the key properties of Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)?
Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate) has a molecular weight of 1295.15 g/mol, XLogP of -9.83, 24 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate) is sourced from PubChem (CID 139058100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).