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Molecule
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
Identifiers
CAS Registry Number
136040-19-2
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 Key
TZOSNOQHGGONMD-UHFFFAOYSA-N
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
Names and Synonyms
- Triphenylcarbenium Tetrakis(Pentafluorophenyl)Borate Common Name
- Methylium, triphenyl-, tetrakis(2,3,4,5,6-pentafluorophenyl)borate(1-) (1:1) Synonym
- Methylium, triphenyl-, tetrakis(pentafluorophenyl)borate(1-) Synonym
- Borate(1-), tetrakis(pentafluorophenyl)-, triphenylmethylium Synonym
- Benzene, pentafluoro-, boron complex Synonym
- Triphenylcarbonium tetrakis(pentafluorophenyl)borate Synonym
- Trityl tetrakis(pentafluorophenyl)borate Synonym
- Triphenylmethyl tetrakis(pentafluorophenyl)borate Synonym
- Triphenylmethylium tetrakis(pentafluorophenyl)borate Synonym
- Triphenylcarbenium tetrakis(pentafluorophenyl)borate(1-) Synonym
- Triphenylmethylium tetrakis(pentafluorophenyl)borate(1-) Synonym
- Triphenylcarbenium tetrakis(pentafluorophenyl)borate Synonym
- Trityl tetra(perfluorophenyl)borate Synonym
- Tritylium tetrakis(pentafluorophenyl)borate Synonym
- Triphenylmethylium tetrakis(perfluorophenyl)borate Synonym
- Triphenylcarbenium tetrakis(perfluorophenyl)borate Synonym
- Trityl tetrakis(perfluorophenyl)borate Synonym
- F 20 (catalyst) Synonym
- F 20 Synonym
- Triphenylcarbonium tetrakis(pentafluorophenyl)borate(1-) Synonym
- Triphenylcarbonium tetrakis(perfluorophenyl)borate Synonym
- Triphenylmethylium tetrakis(2,3,4,5,6-pentafluorophenyl)borate Synonym
- Triphenylcarbonium tetra(pentafluorophenyl)borate Synonym
- TBF 20 Synonym
- Phenylcarbenium tetrakis(pentafluorophenyl)borate Synonym
- [CPh3][B(C6F5)4] Synonym
- [Ph3C][B(C6F5) Synonym
- Ph3CB(C6F5)4 Synonym
- Triphenylcarbenium tetra(perfluorophenyl)borate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 922.37 g/mol | CAS Common Chemistry |
| 922.3650000000001 g/mol | RDKit | |
| 922.365 g/mol | RDKit | |
| 924.379 g/mol | chempirical lib | |
| 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 |
| 10.5518 | RDKit | |
| Molar Refractivity | 189.09299999999976 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 922.0947452800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 922.37 g/mol. Edit any field — others recompute live.
