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4,4′-Diphenylstilbene
CAS: 2039-68-1 | C26H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2039-68-1
Molecular Formula:
C26H20
Molecular Mass:
332.45 g/mol
Names and Synonyms:
4,4′-Diphenylstilbene
1,1′-Biphenyl, 4-(2-[1,1′-biphenyl]-4-ylethenyl)-
1,2-Bis(4-diphenylyl)ethylene
BBE
DPS
DPS (fluor)
NSC 24862
Stilbene, 4,4′-diphenyl-
1,1′-Biphenyl, 4,4′′-(1,2-ethenediyl)bis-
4-(2-[1,1′-Biphenyl]-4-ylethenyl)-1,1′-biphenyl
1,2-Bis(p-biphenylyl)ethylene
1,2-Bis(4-biphenylyl)ethylene
p,p′-Diphenylstilbene
4,4′-Diphenylstilbene
Identifiers:
SMILES:
C(=Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H
Key Properties
Melting Point
301 °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 | 332.45 g/mol | CAS Common Chemistry |
| 332.446 g/mol | RDKit | |
| 332.15650064 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC(C=CC=3C=CC(=CC3)C=4C=CC=CC4)=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H | CAS Common Chemistry |
| InChI Key | InChIKey=HXWQJYVUJPBQEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 301 °C | CAS Common Chemistry |
| Name | 4,4′-Diphenylstilbene | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.191000000000006 | RDKit |
| Molar Refractivity | 112.68400000000001 | RDKit |
