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Molecule
Popop
CAS: 1806-34-4 · C24H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1806-34-4
- Molecular Formula
- C24H16N2O2
- Molecular Mass
- 364.40 g/mol
Identifiers
CAS Registry Number
1806-34-4
SMILES
c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1
InChI Key
MASVCBBIUQRUKL-UHFFFAOYSA-N
InChI
InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
Names and Synonyms
- Popop Synonym
- Oxazole, 2,2′-(1,4-phenylene)bis[5-phenyl- Synonym
- Oxazole, 2,2′-p-phenylenebis[5-phenyl- Synonym
- 2,2′-(1,4-Phenylene)bis[5-phenyloxazole] Synonym
- p-Bis(5-phenyloxazol-2-yl)benzene Synonym
- Di(phenyl-5-oxazolyl-2)-1,4-benzene Synonym
- POPOP Synonym
- 2,2′-p-Phenylenebis(5-phenyloxazole) Synonym
- 1,4-Bis(5-phenyl-2-oxazolyl)benzene Synonym
- NSC 24859 Synonym
- 1,4-Bis(phenyl-2-oxazolyl)benzene Synonym
- 1,4-Di(5-phenyl-2-oxazolyl) benzene Synonym
- 2,2′-(1,4-phenylene)bis(5-phenyl-1,3-oxazole) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.40 g/mol | CAS Common Chemistry |
| 364.40400000000005 g/mol | RDKit | |
| 364.404 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/POPOP | CAS Common Chemistry |
| Canonical SMILES | N=1C=C(OC1C=2C=CC(=CC2)C3=NC=C(O3)C=4C=CC=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H | CAS Common Chemistry |
| InChI Key | InChIKey=MASVCBBIUQRUKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 244-246 °C | CAS Common Chemistry |
| Name | 1,4-Bis(5-phenyl-2-oxazolyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 52.06 Ų | RDKit |
| LogP | 6.330600000000005 | RDKit |
| 6.3306 | RDKit | |
| Molar Refractivity | 108.30799999999999 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 364.12117775199994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 364.40 g/mol. Edit any field — others recompute live.
