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Molecule
2,4,5-Triphenylimidazole
CAS: 484-47-9 · C21H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 484-47-9
- Molecular Formula
- C21H16N2
- Molecular Mass
- 296.37 g/mol
Identifiers
CAS Registry Number
484-47-9
SMILES
c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChI Key
RNIPJYFZGXJSDD-UHFFFAOYSA-N
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)
Names and Synonyms
- 2,4,5-Triphenylimidazole Synonym
- 1H-Imidazole, 2,4,5-triphenyl- Synonym
- Lophine Synonym
- Imidazole, 2,4,5-triphenyl- Synonym
- 2,4,5-Triphenyl-1H-imidazole Synonym
- 2,4,5-Triphenylimidazole Synonym
- 2,4,5-Triphenyl-1,3-imidazole Synonym
- Lophin Synonym
- Triphendazole Synonym
- NSC 62790 Synonym
- NSC 95931 Synonym
- T 0999 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.37 g/mol | CAS Common Chemistry |
| 296.373 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 |
| 5.4107 | RDKit | |
| Molar Refractivity | 94.89570000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 296.131348512 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.
External Resources
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MW = 296.37 g/mol. Edit any field — others recompute live.
