hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium

C25H30F6NO2Sb — CID 46928909

About hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium

hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium (PubChem CID 46928909) has the molecular formula C25H30F6NO2Sb and a molecular weight of 612.27 g/mol. Its IUPAC name is hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium.

Molecular Properties

• Compound Name: hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
• PubChem CID: 46928909
• Molecular Formula: C25H30F6NO2Sb
• Molecular Weight: 612.27 g/mol
• Exact Mass: 611.12
• IUPAC Name: hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
• SMILES: CCCCCCc1cc2ccccc2c2[n+]1CCc1cc(OC)c(OC)cc1-2.F[Sb-](F)(F)(F)(F)F
• InChI: InChI=1S/C25H30NO2.6FH.Sb/c1-4-5-6-7-11-20-15-18-10-8-9-12-21(18)25-22-17-24(28-3)23(27-2)16-19(22)13-14-26(20)25;;;;;;;/h8-10,12,15-17H,4-7,11,13-14H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
• InChIKey: ZLHWEHOLILRKCB-UHFFFAOYSA-H
• XLogP: 7.63
• TPSA: 22.34 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.27
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?

The IUPAC name of hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium (CID 46928909) is hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium.

What is the SMILES notation for hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?

The canonical SMILES for hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium is CCCCCCc1cc2ccccc2c2[n+]1CCc1cc(OC)c(OC)cc1-2.F[Sb-](F)(F)(F)(F)F.

What is the InChIKey of hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?

The InChIKey is ZLHWEHOLILRKCB-UHFFFAOYSA-H. The full InChI is InChI=1S/C25H30NO2.6FH.Sb/c1-4-5-6-7-11-20-15-18-10-8-9-12-21(18)25-22-17-24(28-3)23(27-2)16-19(22)13-14-26(20)25;;;;;;;/h8-10,12,15-17H,4-7,11,13-14H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6.

What are the key properties of hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium?

hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium has a molecular weight of 612.27 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for hexafluoroantimony(1-);8-hexyl-2,3-dimethoxy-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium is sourced from PubChem (CID 46928909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).