tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium

C56H68BF20P — CID 134716571

IUPACtetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C32H68P.C24BF20/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h5-32H2,1-4H3;/q+1;-1
InChIKeyHOEQCDKFSTWQEG-UHFFFAOYSA-N
MW1162.91 g/mol
LogP18.29
Rot. Bonds32

About tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium (PubChem CID 134716571) has the molecular formula C56H68BF20P and a molecular weight of 1162.91 g/mol. Its IUPAC name is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium.

Molecular Properties

Compound Nametetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium
PubChem CID134716571
Molecular FormulaC56H68BF20P
Molecular Weight1162.91 g/mol
Exact Mass1162.48
IUPAC Nametetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C32H68P.C24BF20/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h5-32H2,1-4H3;/q+1;-1
InChIKeyHOEQCDKFSTWQEG-UHFFFAOYSA-N
XLogP18.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.91
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dioctylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 175866120
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
tridodecyl(heptyl)phosphanium
CID 87810947
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
trioctyl(undecyl)phosphanium
CID 87776674
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium?
The IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium (CID 134716571) is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium.
What is the SMILES notation for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium?
The canonical SMILES for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium?
The InChIKey is HOEQCDKFSTWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P.C24BF20/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h5-32H2,1-4H3;/q+1;-1.
What are the key properties of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium?
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium has a molecular weight of 1162.91 g/mol, XLogP of 18.29, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tetraoctylphosphanium is sourced from PubChem (CID 134716571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).