Back to Search
Triphenylcarbenium Tetrakis(Pentafluorophenyl)Borate
CAS: 136040-19-2 | C43H15BF20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
136040-19-2
Molecular Formula:
C43H15BF20
Molecular Mass:
922.37 g/mol
Names and Synonyms:
Triphenylcarbenium Tetrakis(Pentafluorophenyl)Borate
Methylium, triphenyl-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1)
Methylium, triphenyl-, tetrakis(pentafluorophenyl)borate(1-)
Borate(1-), tetrakis(pentafluorophenyl)-, triphenylmethylium
Benzene, pentafluoro-, boron complex
Triphenylcarbonium tetrakis(pentafluorophenyl)borate
Trityl tetrakis(pentafluorophenyl)borate
Triphenylmethyl tetrakis(pentafluorophenyl)borate
Triphenylmethylium tetrakis(pentafluorophenyl)borate
Triphenylcarbenium tetrakis(pentafluorophenyl)borate(1-)
Triphenylmethylium tetrakis(pentafluorophenyl)borate(1-)
Triphenylcarbenium tetrakis(pentafluorophenyl)borate
Trityl tetra(perfluorophenyl)borate
Tritylium tetrakis(pentafluorophenyl)borate
Triphenylmethylium tetrakis(perfluorophenyl)borate
Triphenylcarbenium tetrakis(perfluorophenyl)borate
Trityl tetrakis(perfluorophenyl)borate
F 20 (catalyst)
F 20
Triphenylcarbonium tetrakis(pentafluorophenyl)borate(1-)
Triphenylcarbonium tetrakis(perfluorophenyl)borate
Triphenylmethylium tetrakis(2,3,4,5,6-pentafluorophenyl)borate
Triphenylcarbonium tetra(pentafluorophenyl)borate
TBF 20
Phenylcarbenium tetrakis(pentafluorophenyl)borate
[CPh3][B(C6F5)4]
[Ph3C][B(C6F5)
Ph3CB(C6F5)4
Triphenylcarbenium tetra(perfluorophenyl)borate
Identifiers:
SMILES:
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.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C24BF20.C19H15/c26-5-1(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h;1-15H/q-1;+1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 922.37 g/mol | CAS Common Chemistry |
| 922.3650000000001 g/mol | RDKit | |
| 922.0947452800001 g/mol | RDKit | |
| Canonical SMILES | FC=1C(F)=C(F)[C-](=C(F)C1F)[B+3]([C-]=2C(F)=C(F)C(F)=C(F)C2F)([C-]=3C(F)=C(F)C(F)=C(F)C3F)[C-]=4C(F)=C(F)C(F)=C(F)C4F.C=1C=CC(=CC1)[C+](C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C24BF20.C19H15/c26-5-1(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h;1-15H/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=TZOSNOQHGGONMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triphenylcarbenium tetrakis(pentafluorophenyl)borate | CAS Common Chemistry |
| Heavy Atom Count | 64 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 10.55178999999999 | RDKit |
| Molar Refractivity | 189.09299999999976 | RDKit |
