2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate

C32H32Cl2N4O8 — CID 15588602

About 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate

2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate (PubChem CID 15588602) has the molecular formula C32H32Cl2N4O8 and a molecular weight of 671.53 g/mol. Its IUPAC name is 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate.

Molecular Properties

• Compound Name: 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
• PubChem CID: 15588602
• Molecular Formula: C32H32Cl2N4O8
• Molecular Weight: 671.53 g/mol
• Exact Mass: 670.16
• IUPAC Name: 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
• SMILES: [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c[n+]3ccccc3n2CCCCCCn2c(-c3ccccc3)c[n+]3ccccc23)cc1
• InChI: InChI=1S/C32H32N4.2ClHO4/c1(11-23-35-29(27-15-5-3-6-16-27)25-33-21-13-9-19-31(33)35)2-12-24-36-30(28-17-7-4-8-18-28)26-34-22-14-10-20-32(34)36;2*2-1(3,4)5/h3-10,13-22,25-26H,1-2,11-12,23-24H2;2*(H,2,3,4,5)/q+2;;/p-2
• InChIKey: PZNKUBYENPOCSV-UHFFFAOYSA-L
• XLogP: -3.15
• TPSA: 202.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	671.53
LogP ≤ 5	-3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?

The IUPAC name of 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate (CID 15588602) is 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate.

What is the SMILES notation for 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?

The canonical SMILES for 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c[n+]3ccccc3n2CCCCCCn2c(-c3ccccc3)c[n+]3ccccc23)cc1.

What is the InChIKey of 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?

The InChIKey is PZNKUBYENPOCSV-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H32N4.2ClHO4/c1(11-23-35-29(27-15-5-3-6-16-27)25-33-21-13-9-19-31(33)35)2-12-24-36-30(28-17-7-4-8-18-28)26-34-22-14-10-20-32(34)36;2*2-1(3,4)5/h3-10,13-22,25-26H,1-2,11-12,23-24H2;2*(H,2,3,4,5)/q+2;;/p-2.

What are the key properties of 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?

2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate has a molecular weight of 671.53 g/mol, XLogP of -3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate is sourced from PubChem (CID 15588602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).