cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate

C44H38CdCl8N6O8 — CID 139160361

About cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate

cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate (PubChem CID 139160361) has the molecular formula C44H38CdCl8N6O8 and a molecular weight of 1174.86 g/mol. Its IUPAC name is cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate.

Molecular Properties

• Compound Name: cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
• PubChem CID: 139160361
• Molecular Formula: C44H38CdCl8N6O8
• Molecular Weight: 1174.86 g/mol
• Exact Mass: 1171.93
• IUPAC Name: cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2nc(CN(CCN(Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)ccc2c1
• InChI: InChI=1S/C42H36N6.2CHCl3.Cd.2ClHO4/c1-5-13-39-31(9-1)17-21-35(43-39)27-47(28-36-22-18-32-10-2-6-14-40(32)44-36)25-26-48(29-37-23-19-33-11-3-7-15-41(33)45-37)30-38-24-20-34-12-4-8-16-42(34)46-38;2*2-1(3)4;;2*2-1(3,4)5/h1-24H,25-30H2;2*1H;;2*(H,2,3,4,5)/q;;;+2;;/p-2
• InChIKey: AMMJUXBTMDRRDV-UHFFFAOYSA-L
• XLogP: 3.04
• TPSA: 242.52 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1174.86
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?

The IUPAC name of cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate (CID 139160361) is cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate.

What is the SMILES notation for cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?

The canonical SMILES for cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate is ClC(Cl)Cl.ClC(Cl)Cl.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2nc(CN(CCN(Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)ccc2c1.

What is the InChIKey of cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?

The InChIKey is AMMJUXBTMDRRDV-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H36N6.2CHCl3.Cd.2ClHO4/c1-5-13-39-31(9-1)17-21-35(43-39)27-47(28-36-22-18-32-10-2-6-14-40(32)44-36)25-26-48(29-37-23-19-33-11-3-7-15-41(33)45-37)30-38-24-20-34-12-4-8-16-42(34)46-38;2*2-1(3)4;;2*2-1(3,4)5/h1-24H,25-30H2;2*1H;;2*(H,2,3,4,5)/q;;;+2;;/p-2.

What are the key properties of cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate?

cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate has a molecular weight of 1174.86 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate is sourced from PubChem (CID 139160361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).