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Molecule
2,5-Bis(5′-Tert-Butyl-2-Benzoxazolyl)Thiophene
CAS: 7128-64-5 · C26H26N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7128-64-5
- Molecular Formula
- C26H26N2O2S
- Molecular Mass
- 430.57 g/mol
Identifiers
CAS Registry Number
7128-64-5
SMILES
CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1
InChI Key
AIXZBGVLNVRQSS-UHFFFAOYSA-N
InChI
InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
Names and Synonyms
- 2,5-Bis(5′-Tert-Butyl-2-Benzoxazolyl)Thiophene Synonym
- Benzoxazole, 2,2′-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)- Synonym
- Benzoxazole, 2,2′-(2,5-thiophenediyl)bis[5-tert-butyl- Synonym
- 2,2′-(2,5-Thiophenediyl)bis[5-(1,1-dimethylethyl)benzoxazole] Synonym
- 2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene Synonym
- 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene Synonym
- 2,2′-(2,5-Thiophenediyl)bis[5-tert-butylbenzoxazole] Synonym
- BBOT Synonym
- 2,5-Bis(5′-tert-butyl-2-benzoxazolyl)thiophene Synonym
- Uvitex OB Synonym
- BBOT 150 Synonym
- Uvitex 3BSA Synonym
- C.I. Fluorescent Brightening Agent 184 Synonym
- C.I. Fluorescent Brightener 184 Synonym
- C.I. 515245 Synonym
- Fluorescent Brightener 184 Synonym
- Keyfluor White PL Synonym
- O-B TECH Synonym
- Uvitex OB 55 Synonym
- NSC 158163 Synonym
- C.I. FBA 184 Synonym
- OB Synonym
- TBO Synonym
- 2,5-Bis(5-tert-butylbenzooxazol-2-yl)thiophene Synonym
- Tinopal OB Synonym
- B 0047 Synonym
- OB-FBA 184 Synonym
- Hitex OB Synonym
- Brightener OB Synonym
- MPI Bright 100 Synonym
- Benetex OB Synonym
- Helios SC Synonym
- SpeedBright OB 184 Synonym
- OB 184 Synonym
- Fluorescent brightener OB Synonym
- 2,2′-(2,5-Thiophenediyl)bis(5-tert-butylbenzoxazole) Synonym
- S-FN Synonym
- Telalux OB Synonym
- Tinopal OB-CO Synonym
- Mayzo OB Plus Synonym
- Benetex OB+ Synonym
- Benetex OB Plus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 430.57 g/mol | CAS Common Chemistry |
| 430.57300000000015 g/mol | RDKit | |
| 430.573 g/mol | RDKit | |
| 431.574 g/mol | chempirical lib | |
| Canonical SMILES | N1=C(OC2=CC=C(C=C12)C(C)(C)C)C=3SC(=CC3)C4=NC5=CC(=CC=C5O4)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AIXZBGVLNVRQSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201-202 °C | CAS Common Chemistry |
| Name | 2,5-Bis(5′-tert-butyl-2-benzoxazolyl)thiophene | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 52.06 Ų | RDKit |
| LogP | 7.9595000000000065 | RDKit |
| 7.9595 | RDKit | |
| Molar Refractivity | 127.72500000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3077 | RDKit |
| Exact Mass | 430.17149907199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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.
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MW = 430.57 g/mol. Edit any field — others recompute live.
