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2,5-Bis(4-Biphenylyl)Oxazole
CAS: 2083-09-2 | C27H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2083-09-2
Molecular Formula:
C27H19NO
Molecular Mass:
373.46 g/mol
Names and Synonyms:
2,5-Bis(4-Biphenylyl)Oxazole
Oxazole, 2,5-bis([1,1′-biphenyl]-4-yl)-
Oxazole, 2,5-bis(4-biphenylyl)-
2,5-Bis([1,1′-biphenyl]-4-yl)oxazole
BBO (wavelength shifter)
2,5-Bis(4-biphenylyl)oxazole
2,5-Dibiphenyloxazole
2,5-Bis-p-biphenylyloxazole
2,5-Bis(4-biphenyl)oxazole
2,5-Bis(biphenylyl)oxazole
2,5-Di(4-biphenylyl)oxazole
2,5-Bis(biphenyl)oxazole
BBO
NSC 24863
2,5-Bis(4-phenylphenyl)-1,3-oxazole
Identifiers:
SMILES:
c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1
InChI:
InChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
Key Properties
Melting Point
242 °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 | 373.46 g/mol | CAS Common Chemistry |
| 373.45500000000004 g/mol | RDKit | |
| 373.14666422799996 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(OC1C=2C=CC(=CC2)C=3C=CC=CC3)C=4C=CC(=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H | CAS Common Chemistry |
| InChI Key | InChIKey=DDZJGFHXUOWOSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242 °C | CAS Common Chemistry |
| Name | 2,5-Bis(4-biphenylyl)oxazole | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 26.03 Ų | RDKit |
| LogP | 7.342600000000005 | RDKit |
| Molar Refractivity | 118.24699999999999 | RDKit |
