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Tetraphenyl Butadiene
CAS: 1450-63-1 | C28H22
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1450-63-1
Molecular Formula:
C28H22
Molecular Mass:
358.48 g/mol
Names and Synonyms:
Tetraphenyl Butadiene
1,1,4,4-Tetraphenylbutadiene
Benzene, 1,1′,1′′,1′′′-(1,3-butadiene-1,4-diylidene)tetrakis-
1,3-Butadiene, 1,1,4,4-tetraphenyl-
1,1′,1′′,1′′′-(1,3-Butadiene-1,4-diylidene)tetrakis[benzene]
1,1,4,4-Tetraphenyl-1,3-butadiene
Tetraphenylbutadiene
TPB (dopant)
TPB
NSC 12572
1,1′,4,4′-Tetraphenyl-1,3-butadiene
1,1′,1′′,1′′′-Buta-1,3-diene-1,1,4,4-tetrayltetrabenzene
Identifiers:
SMILES:
C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
Key Properties
Melting Point
200 °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 | 358.48 g/mol | CAS Common Chemistry |
| 358.48400000000004 g/mol | RDKit | |
| 358.172150704 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraphenyl_butadiene | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(=CC=C(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H | CAS Common Chemistry |
| InChI Key | InChIKey=KLCLIOISYBHYDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C | CAS Common Chemistry |
| Name | 1,1′,1′′,1′′′-(1,3-Butadiene-1,4-diylidene)tetrakis[benzene] | CAS Common Chemistry |
| Tetraphenyl butadiene | CAS Common Chemistry | |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.250200000000007 | RDKit |
| Molar Refractivity | 119.92600000000002 | RDKit |
