[tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate

C32H12F13O4Sb — CID 133083534

About [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate

[tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate (PubChem CID 133083534) has the molecular formula C32H12F13O4Sb and a molecular weight of 829.18 g/mol. Its IUPAC name is [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate.

Molecular Properties

• Compound Name: [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate
• PubChem CID: 133083534
• Molecular Formula: C32H12F13O4Sb
• Molecular Weight: 829.18 g/mol
• Exact Mass: 827.96
• IUPAC Name: [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate
• SMILES: O=C(O[Sb](OC(=O)c1c(F)c(F)c(F)c(F)c1F)(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/2C7HF5O2.3C6H4F.Sb/c2*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;3*7-6-4-2-1-3-5-6;/h2*(H,13,14);3*2-5H;/q;;;;;+2/p-2
• InChIKey: DYASNCKLFCIKOW-UHFFFAOYSA-L
• XLogP: 6.63
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.18
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?

The IUPAC name of [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate (CID 133083534) is [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate.

What is the SMILES notation for [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?

The canonical SMILES for [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate is O=C(O[Sb](OC(=O)c1c(F)c(F)c(F)c(F)c1F)(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?

The InChIKey is DYASNCKLFCIKOW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7HF5O2.3C6H4F.Sb/c2*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;3*7-6-4-2-1-3-5-6;/h2*(H,13,14);3*2-5H;/q;;;;;+2/p-2.

What are the key properties of [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate?

[tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate has a molecular weight of 829.18 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [tris(4-fluorophenyl)-(2,3,4,5,6-pentafluorobenzoyl)oxy-λ5-stibanyl] 2,3,4,5,6-pentafluorobenzoate is sourced from PubChem (CID 133083534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).