didodecylazanium;tetrakis(4-fluorophenyl)boranuide

C48H68BF4N — CID 139833691

IUPACdidodecylazanium;tetrakis(4-fluorophenyl)boranuide
SMILESCCCCCCCCCCCC[NH2+]CCCCCCCCCCCC.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H16BF4.C24H51N/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h1-16H;25H,3-24H2,1-2H3/q-1;/p+1
InChIKeyLLIWWLIOLGVAKH-UHFFFAOYSA-O
MW745.88 g/mol
LogP11.01
Rot. Bonds26

About didodecylazanium;tetrakis(4-fluorophenyl)boranuide

didodecylazanium;tetrakis(4-fluorophenyl)boranuide (PubChem CID 139833691) has the molecular formula C48H68BF4N and a molecular weight of 745.88 g/mol. Its IUPAC name is didodecylazanium;tetrakis(4-fluorophenyl)boranuide.

Molecular Properties

Compound Namedidodecylazanium;tetrakis(4-fluorophenyl)boranuide
PubChem CID139833691
Molecular FormulaC48H68BF4N
Molecular Weight745.88 g/mol
Exact Mass745.54
IUPAC Namedidodecylazanium;tetrakis(4-fluorophenyl)boranuide
SMILESCCCCCCCCCCCC[NH2+]CCCCCCCCCCCC.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H16BF4.C24H51N/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h1-16H;25H,3-24H2,1-2H3/q-1;/p+1
InChIKeyLLIWWLIOLGVAKH-UHFFFAOYSA-O
XLogP11.01
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.88
LogP ≤ 511.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of didodecylazanium;tetrakis(4-fluorophenyl)boranuide?
The IUPAC name of didodecylazanium;tetrakis(4-fluorophenyl)boranuide (CID 139833691) is didodecylazanium;tetrakis(4-fluorophenyl)boranuide.
What is the SMILES notation for didodecylazanium;tetrakis(4-fluorophenyl)boranuide?
The canonical SMILES for didodecylazanium;tetrakis(4-fluorophenyl)boranuide is CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of didodecylazanium;tetrakis(4-fluorophenyl)boranuide?
The InChIKey is LLIWWLIOLGVAKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16BF4.C24H51N/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h1-16H;25H,3-24H2,1-2H3/q-1;/p+1.
What are the key properties of didodecylazanium;tetrakis(4-fluorophenyl)boranuide?
didodecylazanium;tetrakis(4-fluorophenyl)boranuide has a molecular weight of 745.88 g/mol, XLogP of 11.01, 26 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecylazanium;tetrakis(4-fluorophenyl)boranuide is sourced from PubChem (CID 139833691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).