tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium

C61H94BF4N — CID 90018831

IUPACtetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium
SMILESCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C37H78N.C24H16BF4/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;26-21-9-1-17(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/h5-37H2,1-4H3;1-16H/q+1;-1
InChIKeyQXHOVSRMJXAQRP-UHFFFAOYSA-N
MW928.23 g/mol
LogP16.82
Rot. Bonds37

About tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium

tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium (PubChem CID 90018831) has the molecular formula C61H94BF4N and a molecular weight of 928.23 g/mol. Its IUPAC name is tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium.

Molecular Properties

Compound Nametetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium
PubChem CID90018831
Molecular FormulaC61H94BF4N
Molecular Weight928.23 g/mol
Exact Mass927.74
IUPAC Nametetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium
SMILESCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C37H78N.C24H16BF4/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;26-21-9-1-17(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/h5-37H2,1-4H3;1-16H/q+1;-1
InChIKeyQXHOVSRMJXAQRP-UHFFFAOYSA-N
XLogP16.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds37
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.23
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

didodecylazanium;tetrakis(4-fluorophenyl)boranuide
CID 139833691
methyl(trioctyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 177344479
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
butyl-dodecyl-methyl-octylazanium
CID 71382086
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
azane;methyl-tri(tetradecyl)azanium
CID 172739350

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium?
The IUPAC name of tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium (CID 90018831) is tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium.
What is the SMILES notation for tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium?
The canonical SMILES for tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium is CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium?
The InChIKey is QXHOVSRMJXAQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H78N.C24H16BF4/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;26-21-9-1-17(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/h5-37H2,1-4H3;1-16H/q+1;-1.
What are the key properties of tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium?
tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium has a molecular weight of 928.23 g/mol, XLogP of 16.82, 37 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium is sourced from PubChem (CID 90018831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).