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Molecule
2,5-Bis(4-Biphenylyl)Oxazole
CAS: 2083-09-2 · C27H19NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2083-09-2
- Molecular Formula
- C27H19NO
- Molecular Mass
- 373.46 g/mol
Identifiers
CAS Registry Number
2083-09-2
SMILES
c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1
InChI Key
DDZJGFHXUOWOSL-UHFFFAOYSA-N
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
Names and Synonyms
- 2,5-Bis(4-Biphenylyl)Oxazole Synonym
- Oxazole, 2,5-bis([1,1′-biphenyl]-4-yl)- Synonym
- Oxazole, 2,5-bis(4-biphenylyl)- Synonym
- 2,5-Bis([1,1′-biphenyl]-4-yl)oxazole Synonym
- BBO (wavelength shifter) Synonym
- 2,5-Bis(4-biphenylyl)oxazole Synonym
- 2,5-Dibiphenyloxazole Synonym
- 2,5-Bis-p-biphenylyloxazole Synonym
- 2,5-Bis(4-biphenyl)oxazole Synonym
- 2,5-Bis(biphenylyl)oxazole Synonym
- 2,5-Di(4-biphenylyl)oxazole Synonym
- 2,5-Bis(biphenyl)oxazole Synonym
- BBO Synonym
- NSC 24863 Synonym
- 2,5-Bis(4-phenylphenyl)-1,3-oxazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.46 g/mol | CAS Common Chemistry |
| 373.45500000000004 g/mol | RDKit | |
| 373.455 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 |
| 7.3426 | RDKit | |
| Molar Refractivity | 118.24699999999999 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 373.14666422799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 373.46 g/mol. Edit any field — others recompute live.
