bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)

C54H68Cu2F12N6O2Sb2 — CID 16687390

About bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)

bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane) (PubChem CID 16687390) has the molecular formula C54H68Cu2F12N6O2Sb2 and a molecular weight of 1431.77 g/mol. Its IUPAC name is bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane).

Molecular Properties

• Compound Name: bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
• PubChem CID: 16687390
• Molecular Formula: C54H68Cu2F12N6O2Sb2
• Molecular Weight: 1431.77 g/mol
• Exact Mass: 1428.19
• IUPAC Name: bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
• SMILES: F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.OO.[Cu+].[Cu+].c1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1.c1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1
• InChI: InChI=1S/2C27H33N3.2Cu.12FH.H2O2.2Sb/c2*1-4-10-25(11-5-1)22-28-16-18-29(23-26-12-6-2-7-13-26)20-21-30(19-17-28)24-27-14-8-3-9-15-27;;;;;;;;;;;;;;;1-2;;/h2*1-15H,16-24H2;;;12*1H;1-2H;;/q;;2*+1;;;;;;;;;;;;;;2*+5/p-12
• InChIKey: FAMLNGZRXDIEIH-UHFFFAOYSA-B
• XLogP: 13.31
• TPSA: 59.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.77
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)?

The IUPAC name of bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane) (CID 16687390) is bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane).

What is the SMILES notation for bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)?

The canonical SMILES for bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane) is F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.OO.[Cu+].[Cu+].c1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1.c1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1.

What is the InChIKey of bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)?

The InChIKey is FAMLNGZRXDIEIH-UHFFFAOYSA-B. The full InChI is InChI=1S/2C27H33N3.2Cu.12FH.H2O2.2Sb/c2*1-4-10-25(11-5-1)22-28-16-18-29(23-26-12-6-2-7-13-26)20-21-30(19-17-28)24-27-14-8-3-9-15-27;;;;;;;;;;;;;;;1-2;;/h2*1-15H,16-24H2;;;12*1H;1-2H;;/q;;2*+1;;;;;;;;;;;;;;2*+5/p-12.

What are the key properties of bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)?

bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane) has a molecular weight of 1431.77 g/mol, XLogP of 13.31, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane) is sourced from PubChem (CID 16687390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).