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Bis-Msb
CAS: 13280-61-0 | C24H22
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13280-61-0
Molecular Formula:
C24H22
Molecular Mass:
310.44 g/mol
Names and Synonyms:
Bis-Msb
Benzene, 1,4-bis[2-(2-methylphenyl)ethenyl]-
Benzene, p-bis(o-methylstyryl)-
1,4-Bis[2-(2-methylphenyl)ethenyl]benzene
p-Bis(o-methylstyryl)benzene
Bis-MSB
1,4-Bis(2-methylstyryl)benzene
1,4-Bis(o-methylstyryl)benzene
p-Bis(2-methylstyryl)benzene
DST
DST (hole transport material)
Identifiers:
SMILES:
Cc1ccccc1C=Cc1ccc(C=Cc2ccccc2C)cc1
InChI:
InChI=1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3
Key Properties
Melting Point
178-179 °C @ Solvent: Benzene
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 | 310.44 g/mol | CAS Common Chemistry |
| 310.44000000000005 g/mol | RDKit | |
| 310.172150704 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=C(C1)C=CC2=CC=C(C=C2)C=CC=3C=CC=CC3C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QKLPIYTUUFFRLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178-179 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | Bis-MSB | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.644240000000005 | RDKit |
| Molar Refractivity | 106.65600000000002 | RDKit |
