Back to Search
2-[2-[4-[2-(4-Cyanophenyl)Ethenyl]Phenyl]Ethenyl]Benzonitrile
CAS: 13001-38-2 | C24H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13001-38-2
Molecular Formula:
C24H16N2
Molecular Mass:
332.41 g/mol
Names and Synonyms:
2-[2-[4-[2-(4-Cyanophenyl)Ethenyl]Phenyl]Ethenyl]Benzonitrile
Benzonitrile, 2-[2-[4-[2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]-
Benzonitrile, 2,4′-(p-phenylenedivinylene)di-
2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
Fluorescent Brightener ER-II
1-(2-Cyanostyryl)-4-(4-cyanostyryl)benzene
Identifiers:
SMILES:
N#Cc1ccc(C=Cc2ccc(C=Cc3ccccc3C#N)cc2)cc1
InChI:
InChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H
Key Properties
Melting Point
190-192 °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 | 332.41 g/mol | CAS Common Chemistry |
| 332.406 g/mol | RDKit | |
| 332.131348512 g/mol | RDKit | |
| Canonical SMILES | N#CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=CC=3C=CC=CC3C#N | CAS Common Chemistry |
| InChI | InChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H | CAS Common Chemistry |
| InChI Key | InChIKey=OQVQNTRMZCGXIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190-192 °C | CAS Common Chemistry |
| Name | 2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 5.7707600000000046 | RDKit |
| Molar Refractivity | 106.61200000000001 | RDKit |
