bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium

C16H24F6IrSb- — CID 44517925

IUPACbis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.F[Sb-](F)(F)(F)(F)F.[Ir]
InChIInChI=1S/2C8H12.6FH.Ir.Sb/c2*1-2-4-6-8-7-5-3-1;;;;;;;;/h2*1-2,7-8H,3-6H2;6*1H;;/q;;;;;;;;;+5/p-6
InChIKeyOWNKIZWEPBJQFF-UHFFFAOYSA-H
MW644.33 g/mol
LogP7.48
Rot. Bonds

About bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium

bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium (PubChem CID 44517925) has the molecular formula C16H24F6IrSb- and a molecular weight of 644.33 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium
PubChem CID44517925
Molecular FormulaC16H24F6IrSb-
Molecular Weight644.33 g/mol
Exact Mass644.05
IUPAC Namebis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.F[Sb-](F)(F)(F)(F)F.[Ir]
InChIInChI=1S/2C8H12.6FH.Ir.Sb/c2*1-2-4-6-8-7-5-3-1;;;;;;;;/h2*1-2,7-8H,3-6H2;6*1H;;/q;;;;;;;;;+5/p-6
InChIKeyOWNKIZWEPBJQFF-UHFFFAOYSA-H
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.33
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium?
The IUPAC name of bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium (CID 44517925) is bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium.
What is the SMILES notation for bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium?
The canonical SMILES for bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium is C1=CCCC=CCC1.C1=CCCC=CCC1.F[Sb-](F)(F)(F)(F)F.[Ir].
What is the InChIKey of bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium?
The InChIKey is OWNKIZWEPBJQFF-UHFFFAOYSA-H. The full InChI is InChI=1S/2C8H12.6FH.Ir.Sb/c2*1-2-4-6-8-7-5-3-1;;;;;;;;/h2*1-2,7-8H,3-6H2;6*1H;;/q;;;;;;;;;+5/p-6.
What are the key properties of bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium?
bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium has a molecular weight of 644.33 g/mol, XLogP of 7.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cycloocta-1,5-diene);hexafluoroantimony(1-);iridium is sourced from PubChem (CID 44517925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).