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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
Names and Synonyms:
4,4′-Bis(2-Benzoxazolyl)Stilbene
Benzoxazole, 2,2′-(1,2-ethenediyldi-4,1-phenylene)bis-
Benzoxazole, 2,2′-(vinylenedi-p-phenylene)bis-
2,2′-(1,2-Ethenediyldi-4,1-phenylene)bis[benzoxazole]
p,p′-Bis(2-benzoxazolyl)stilbene
2,2′-(Vinylenedi-p-phenylene)bisbenzoxazole
4,4′-Di(benzoxazol-2-yl)stilbene
4,4′-Bis(2-benzoxazolyl)stilbene
Optical Brightener 1
C.I. 40674
Fluorescent Brightener 393
C.I. Fluorescent Brightener 393
Eastobrite OB 1
OB 1
Uvitex OB 1
Uvitex OB-ONE
Eastobrite OB 3
TM
TM (UV stabilizer)
Benetex OB 1
2,2′-(1,2-Ethenediyl)bis(4,1-phenylene)bisbenzoxazole
Fluorescent brightener OB 1
1,2-Bis(4-(benzo[d]oxazol-2-yl)phenyl)ethene
2-[4-[2-[4-(1,3-Benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Benetex OB 1HP
Identifiers:
SMILES:
C(=Cc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2nc3ccccc3o2)cc1
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
Key Properties
Melting Point
365-368 °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 | 414.46 g/mol | CAS Common Chemistry |
| 414.46400000000017 g/mol | RDKit | |
| 414.136827816 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 |
| Molar Refractivity | 127.818 | RDKit |
