tetraphenylboranuide;trihexyl(phenyl)phosphanium

C48H64BP — CID 87662204

IUPACtetraphenylboranuide;trihexyl(phenyl)phosphanium
SMILESCCCCCC[P+](CCCCCC)(CCCCCC)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C24H44P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-7-10-16-21-25(22-17-11-8-5-2,23-18-12-9-6-3)24-19-14-13-15-20-24/h1-20H;13-15,19-20H,4-12,16-18,21-23H2,1-3H3/q-1;+1
InChIKeyKOSHDIPSZXZYOT-UHFFFAOYSA-N
MW682.83 g/mol
LogP11.13
Rot. Bonds20

About tetraphenylboranuide;trihexyl(phenyl)phosphanium

tetraphenylboranuide;trihexyl(phenyl)phosphanium (PubChem CID 87662204) has the molecular formula C48H64BP and a molecular weight of 682.83 g/mol. Its IUPAC name is tetraphenylboranuide;trihexyl(phenyl)phosphanium.

Molecular Properties

Compound Nametetraphenylboranuide;trihexyl(phenyl)phosphanium
PubChem CID87662204
Molecular FormulaC48H64BP
Molecular Weight682.83 g/mol
Exact Mass682.48
IUPAC Nametetraphenylboranuide;trihexyl(phenyl)phosphanium
SMILESCCCCCC[P+](CCCCCC)(CCCCCC)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C24H44P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-7-10-16-21-25(22-17-11-8-5-2,23-18-12-9-6-3)24-19-14-13-15-20-24/h1-20H;13-15,19-20H,4-12,16-18,21-23H2,1-3H3/q-1;+1
InChIKeyKOSHDIPSZXZYOT-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 511.13
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dodecyl-diethyl-phenylphosphanium
CID 23177091
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium
CID 87661840
triphenyl(undecyl)phosphanium chloride
CID 22921220
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
decyl-dimethyl-phenylphosphanium
CID 67813887
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
methyl(tetradecyl)azanium;tetraphenylboranuide
CID 175491295
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723

Frequently Asked Questions

What is the IUPAC name of tetraphenylboranuide;trihexyl(phenyl)phosphanium?
The IUPAC name of tetraphenylboranuide;trihexyl(phenyl)phosphanium (CID 87662204) is tetraphenylboranuide;trihexyl(phenyl)phosphanium.
What is the SMILES notation for tetraphenylboranuide;trihexyl(phenyl)phosphanium?
The canonical SMILES for tetraphenylboranuide;trihexyl(phenyl)phosphanium is CCCCCC[P+](CCCCCC)(CCCCCC)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide;trihexyl(phenyl)phosphanium?
The InChIKey is KOSHDIPSZXZYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C24H44P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-7-10-16-21-25(22-17-11-8-5-2,23-18-12-9-6-3)24-19-14-13-15-20-24/h1-20H;13-15,19-20H,4-12,16-18,21-23H2,1-3H3/q-1;+1.
What are the key properties of tetraphenylboranuide;trihexyl(phenyl)phosphanium?
tetraphenylboranuide;trihexyl(phenyl)phosphanium has a molecular weight of 682.83 g/mol, XLogP of 11.13, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide;trihexyl(phenyl)phosphanium is sourced from PubChem (CID 87662204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).