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Molecule
4,4′-Bis(2-Benzoxazolyl)Stilbene
CAS: 1533-45-5 · C28H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1533-45-5
- Molecular Formula
- C28H18N2O2
- Molecular Mass
- 414.46 g/mol
Identifiers
CAS Registry Number
1533-45-5
SMILES
C(=Cc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2nc3ccccc3o2)cc1
InChI Key
ORACIQIJMCYPHQ-UHFFFAOYSA-N
InChI
InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H
Names and Synonyms
- 4,4′-Bis(2-Benzoxazolyl)Stilbene Synonym
- Benzoxazole, 2,2′-(1,2-ethenediyldi-4,1-phenylene)bis- Synonym
- Benzoxazole, 2,2′-(vinylenedi-p-phenylene)bis- Synonym
- 2,2′-(1,2-Ethenediyldi-4,1-phenylene)bis[benzoxazole] Synonym
- p,p′-Bis(2-benzoxazolyl)stilbene Synonym
- 2,2′-(Vinylenedi-p-phenylene)bisbenzoxazole Synonym
- 4,4′-Di(benzoxazol-2-yl)stilbene Synonym
- 4,4′-Bis(2-benzoxazolyl)stilbene Synonym
- Optical Brightener 1 Synonym
- C.I. 40674 Synonym
- Fluorescent Brightener 393 Synonym
- C.I. Fluorescent Brightener 393 Synonym
- Eastobrite OB 1 Synonym
- OB 1 Synonym
- Uvitex OB 1 Synonym
- Uvitex OB-ONE Synonym
- Eastobrite OB 3 Synonym
- TM Synonym
- TM (UV stabilizer) Synonym
- Benetex OB 1 Synonym
- 2,2′-(1,2-Ethenediyl)bis(4,1-phenylene)bisbenzoxazole Synonym
- Fluorescent brightener OB 1 Synonym
- 1,2-Bis(4-(benzo[d]oxazol-2-yl)phenyl)ethene Synonym
- 2-[4-[2-[4-(1,3-Benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole Synonym
- Benetex OB 1HP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 414.46 g/mol | CAS Common Chemistry |
| 414.46400000000017 g/mol | RDKit | |
| 414.464 g/mol | RDKit | |
| Canonical SMILES | N1=C(OC2=CC=CC=C12)C3=CC=C(C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H | CAS Common Chemistry |
| InChI Key | InChIKey=ORACIQIJMCYPHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 365-368 °C | CAS Common Chemistry |
| Name | 4,4′-Bis(2-benzoxazolyl)stilbene | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 52.06 Ų | RDKit |
| LogP | 7.473400000000004 | RDKit |
| 7.4734 | RDKit | |
| Molar Refractivity | 127.818 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 414.136827816 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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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.
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MW = 414.46 g/mol. Edit any field — others recompute live.
