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1,2,2,2-Tetraphenylethanone
CAS: 466-37-5 | C26H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
466-37-5
Molecular Formula:
C26H20O
Molecular Mass:
348.45 g/mol
Names and Synonyms:
1,2,2,2-Tetraphenylethanone
NSC 2820
NSC 194
Benzopinacolone
Ethanone, 1,2,2,2-tetraphenyl-
β-Benzopinacolone
Acetophenone, 2,2,2-triphenyl-
Ethanone, tetraphenyl-
1,2,2,2-Tetraphenylethanone
ω,ω,ω-Triphenylacetophenone
2,2,2-Triphenylacetophenone
Phenyl trityl ketone
Tetraphenylethanone
1,2,2,2-Tetraphenyl-1-ethanone
Identifiers:
SMILES:
O=C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
Key Properties
Melting Point
88 °C
CAS Common Chemistry
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 | 348.45 g/mol | CAS Common Chemistry |
| 348.44500000000005 g/mol | RDKit | |
| 348.15141526 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H | CAS Common Chemistry |
| InChI Key | InChIKey=CFBBKHROQRFCNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | 1,2,2,2-Tetraphenylethanone | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 5.903900000000005 | RDKit |
| Molar Refractivity | 109.98050000000002 | RDKit |
