bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate

C34H20Cl2Hg2N8O8S2 — CID 139198315

About bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate

bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate (PubChem CID 139198315) has the molecular formula C34H20Cl2Hg2N8O8S2 and a molecular weight of 1204.80 g/mol. Its IUPAC name is bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate.

Molecular Properties

• Compound Name: bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate
• PubChem CID: 139198315
• Molecular Formula: C34H20Cl2Hg2N8O8S2
• Molecular Weight: 1204.80 g/mol
• Exact Mass: 1205.96
• IUPAC Name: bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate
• SMILES: [Hg+].[Hg+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
• InChI: InChI=1S/2C17H10N4S.2ClHO4.2Hg/c2*1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;2*2-1(3,4)5;;/h2*1-9H,(H,20,21);2*(H,2,3,4,5);;/q;;;;2*+1/p-2
• InChIKey: CSROYDBAVLEIMF-UHFFFAOYSA-L
• XLogP: -0.74
• TPSA: 293.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.80
LogP ≤ 5	-0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate?

The IUPAC name of bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate (CID 139198315) is bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate.

What is the SMILES notation for bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate?

The canonical SMILES for bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate is [Hg+].[Hg+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.

What is the InChIKey of bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate?

The InChIKey is CSROYDBAVLEIMF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H10N4S.2ClHO4.2Hg/c2*1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;2*2-1(3,4)5;;/h2*1-9H,(H,20,21);2*(H,2,3,4,5);;/q;;;;2*+1/p-2.

What are the key properties of bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate?

bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate has a molecular weight of 1204.80 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(mercury(1+));bis(2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline);diperchlorate is sourced from PubChem (CID 139198315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).