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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
Names and Synonyms:
Popop
Oxazole, 2,2′-(1,4-phenylene)bis[5-phenyl-
Oxazole, 2,2′-p-phenylenebis[5-phenyl-
2,2′-(1,4-Phenylene)bis[5-phenyloxazole]
p-Bis(5-phenyloxazol-2-yl)benzene
Di(phenyl-5-oxazolyl-2)-1,4-benzene
POPOP
2,2′-p-Phenylenebis(5-phenyloxazole)
1,4-Bis(5-phenyl-2-oxazolyl)benzene
NSC 24859
1,4-Bis(phenyl-2-oxazolyl)benzene
1,4-Di(5-phenyl-2-oxazolyl) benzene
2,2′-(1,4-phenylene)bis(5-phenyl-1,3-oxazole)
Identifiers:
SMILES:
c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1
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
Key Properties
Melting Point
244-246 °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 | 364.40 g/mol | CAS Common Chemistry |
| 364.40400000000005 g/mol | RDKit | |
| 364.12117775199994 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 |
| POPOP | 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 |
| Molar Refractivity | 108.30799999999999 | RDKit |
