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Molecule
2-[2-[4-[2-(4-Cyanophenyl)Ethenyl]Phenyl]Ethenyl]Benzonitrile
CAS: 13001-38-2 · C24H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13001-38-2
- Molecular Formula
- C24H16N2
- Molecular Mass
- 332.41 g/mol
Identifiers
CAS Registry Number
13001-38-2
SMILES
N#Cc1ccc(C=Cc2ccc(C=Cc3ccccc3C#N)cc2)cc1
InChI Key
OQVQNTRMZCGXIB-UHFFFAOYSA-N
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
Names and Synonyms
- 2-[2-[4-[2-(4-Cyanophenyl)Ethenyl]Phenyl]Ethenyl]Benzonitrile Systematic Name
- Benzonitrile, 2-[2-[4-[2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]- Synonym
- Benzonitrile, 2,4′-(p-phenylenedivinylene)di- Synonym
- 2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile Synonym
- Fluorescent Brightener ER-II Synonym
- 1-(2-Cyanostyryl)-4-(4-cyanostyryl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.41 g/mol | CAS Common Chemistry |
| 332.406 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 |
| 5.7708 | RDKit | |
| Molar Refractivity | 106.61200000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 332.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 332.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H16N2.
