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2,4,5-Triphenylimidazole
CAS: 484-47-9 | C21H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
484-47-9
Molecular Formula:
C21H16N2
Molecular Mass:
296.37 g/mol
Names and Synonyms:
2,4,5-Triphenylimidazole
1H-Imidazole, 2,4,5-triphenyl-
Lophine
Imidazole, 2,4,5-triphenyl-
2,4,5-Triphenyl-1H-imidazole
2,4,5-Triphenylimidazole
2,4,5-Triphenyl-1,3-imidazole
Lophin
Triphendazole
NSC 62790
NSC 95931
T 0999
Identifiers:
SMILES:
c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChI:
InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
Key Properties
Melting Point
275 °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 | 296.37 g/mol | CAS Common Chemistry |
| 296.373 g/mol | RDKit | |
| 296.131348512 g/mol | RDKit | |
| Canonical SMILES | N1=C(NC(C=2C=CC=CC2)=C1C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23) | CAS Common Chemistry |
| InChI Key | InChIKey=RNIPJYFZGXJSDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 275 °C | CAS Common Chemistry |
| Name | 2,4,5-Triphenylimidazole | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 5.410700000000004 | RDKit |
| Molar Refractivity | 94.89570000000002 | RDKit |
