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Molecule
2,3-Diphenylquinoxaline
CAS: 1684-14-6 · C20H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1684-14-6
- Molecular Formula
- C20H14N2
- Molecular Mass
- 282.35 g/mol
Identifiers
CAS Registry Number
1684-14-6
SMILES
c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChI Key
RSNQVABHABAKEZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N2/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H
Names and Synonyms
- 2,3-Diphenylquinoxaline Systematic Name
- Quinoxaline, 2,3-diphenyl- Synonym
- 2,3-Diphenylquinoxaline Synonym
- 2,3-Diphenyl-1,4-quinoxaline Synonym
- NSC 15232 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.35 g/mol | CAS Common Chemistry |
| 282.346 g/mol | RDKit | |
| Canonical SMILES | N1=C2C=CC=CC2=NC(C3=CC=CC=C3)=C1C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C20H14N2/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=RSNQVABHABAKEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | 2,3-Diphenylquinoxaline | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| 24.72 Ų | chempirical lib | |
| LogP | 4.9638000000000035 | RDKit |
| 4.9638 | RDKit | |
| Molar Refractivity | 90.41000000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 282.115698448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 282.35 g/mol. Edit any field — others recompute live.
