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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 Weight:
430.57300000000015 g/mol
Names and Synonyms:
2,5-Bis(5′-Tert-Butyl-2-Benzoxazolyl)Thiophene
Benzoxazole, 2,2′-(2,5-thiophenediyl)bis[5-(1,1-dimethylethyl)-
Benzoxazole, 2,2′-(2,5-thiophenediyl)bis[5-tert-butyl-
2,2′-(2,5-Thiophenediyl)bis[5-(1,1-dimethylethyl)benzoxazole]
2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
2,2′-(2,5-Thiophenediyl)bis[5-tert-butylbenzoxazole]
BBOT
2,5-Bis(5′-tert-butyl-2-benzoxazolyl)thiophene
Uvitex OB
BBOT 150
Uvitex 3BSA
C.I. Fluorescent Brightening Agent 184
C.I. Fluorescent Brightener 184
C.I. 515245
Fluorescent Brightener 184
Keyfluor White PL
O-B TECH
Uvitex OB 55
NSC 158163
C.I. FBA 184
OB
TBO
2,5-Bis(5-tert-butylbenzooxazol-2-yl)thiophene
Tinopal OB
B 0047
OB-FBA 184
Hitex OB
Brightener OB
MPI Bright 100
Benetex OB
Helios SC
SpeedBright OB 184
OB 184
Fluorescent brightener OB
2,2′-(2,5-Thiophenediyl)bis(5-tert-butylbenzoxazole)
S-FN
Telalux OB
Tinopal OB-CO
Mayzo OB Plus
Benetex OB+
Benetex OB Plus
Identifiers:
SMILES:
CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)s3)nc2c1
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 430.57300000000015 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 430.17149907199996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 31 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 5 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.9595000000000065 | RDKit |
| molecular_mass | 430.57 g/mol | Legacy Database |
| cas-canonical-smile | N1=C(OC2=CC=C(C=C12)C(C)(C)C)C=3SC(=CC3)C4=NC5=CC(=CC=C5O4)C(C)(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=AIXZBGVLNVRQSS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 201-202 °C None | Legacy Database |
| cas-name | 2,5-Bis(5′-tert-butyl-2-benzoxazolyl)thiophene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 127.72500000000005 | RDKit |
