nonakis(tetrabutylazanium);hexafluoride;stiborate

C144H324F6N9O4Sb — CID 139650283

IUPACnonakis(tetrabutylazanium);hexafluoride;stiborate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Sb]([O-])([O-])[O-].[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/9C16H36N.6FH.4O.Sb/c9*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;;/h9*5-16H2,1-4H3;6*1H;;;;;/q9*+1;;;;;;;;3*-1;/p-6
InChIKeyQCNFTCOKHMICBF-UHFFFAOYSA-H
MW2481.98 g/mol
LogP22.99
Rot. Bonds108

About nonakis(tetrabutylazanium);hexafluoride;stiborate

nonakis(tetrabutylazanium);hexafluoride;stiborate (PubChem CID 139650283) has the molecular formula C144H324F6N9O4Sb and a molecular weight of 2481.98 g/mol. Its IUPAC name is nonakis(tetrabutylazanium);hexafluoride;stiborate.

Molecular Properties

Compound Namenonakis(tetrabutylazanium);hexafluoride;stiborate
PubChem CID139650283
Molecular FormulaC144H324F6N9O4Sb
Molecular Weight2481.98 g/mol
Exact Mass2479.44
IUPAC Namenonakis(tetrabutylazanium);hexafluoride;stiborate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Sb]([O-])([O-])[O-].[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/9C16H36N.6FH.4O.Sb/c9*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;;/h9*5-16H2,1-4H3;6*1H;;;;;/q9*+1;;;;;;;;3*-1;/p-6
InChIKeyQCNFTCOKHMICBF-UHFFFAOYSA-H
XLogP22.99
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds108
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002481.98
LogP ≤ 522.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetrabutylazanium;fluoride;dihydrate
CID 22343550
phosphane;tetrabutylazanium;fluoride
CID 174703499
silane;tetrabutylazanium;fluoride
CID 174896730
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
bis(tetrabutylazanium);carbonate
CID 14746847
hydron;oxophosphane;tetrabutylazanium
CID 174884742
tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
hydron;tetrabutylazanium;diiodide
CID 173281455

Frequently Asked Questions

What is the IUPAC name of nonakis(tetrabutylazanium);hexafluoride;stiborate?
The IUPAC name of nonakis(tetrabutylazanium);hexafluoride;stiborate (CID 139650283) is nonakis(tetrabutylazanium);hexafluoride;stiborate.
What is the SMILES notation for nonakis(tetrabutylazanium);hexafluoride;stiborate?
The canonical SMILES for nonakis(tetrabutylazanium);hexafluoride;stiborate is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Sb]([O-])([O-])[O-].[F-].[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of nonakis(tetrabutylazanium);hexafluoride;stiborate?
The InChIKey is QCNFTCOKHMICBF-UHFFFAOYSA-H. The full InChI is InChI=1S/9C16H36N.6FH.4O.Sb/c9*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;;/h9*5-16H2,1-4H3;6*1H;;;;;/q9*+1;;;;;;;;3*-1;/p-6.
What are the key properties of nonakis(tetrabutylazanium);hexafluoride;stiborate?
nonakis(tetrabutylazanium);hexafluoride;stiborate has a molecular weight of 2481.98 g/mol, XLogP of 22.99, 108 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(tetrabutylazanium);hexafluoride;stiborate is sourced from PubChem (CID 139650283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).