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1,4-Diphenyl-1,3-Butadiene
CAS: 886-65-7 | C16H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
886-65-7
Molecular Formula:
C16H14
Molecular Mass:
206.29 g/mol
Names and Synonyms:
1,4-Diphenyl-1,3-Butadiene
Benzene, 1,1′-(1,3-butadiene-1,4-diyl)bis-
1,3-Butadiene, 1,4-diphenyl-
1,1′-(1,3-Butadiene-1,4-diyl)bis[benzene]
Bistyryl
1,4-Diphenylbutadiene
1,4-Diphenyl-1,3-butadiene
1,4-Diphenylerythrene
Distyryl
DPB
α,ω-Diphenylbutadiene
DPB (fluor)
NSC 122702
Identifiers:
SMILES:
C(C=Cc1ccccc1)=Cc1ccccc1
InChI:
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H
Key Properties
Boiling Point
350 °C
CAS Common Chemistry
Melting Point
152 °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 | 206.29 g/mol | CAS Common Chemistry |
| 206.28799999999998 g/mol | RDKit | |
| 206.109550448 g/mol | RDKit | |
| Boiling Point | 350 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=CC=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=JFLKFZNIIQFQBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | 1,4-Diphenyl-1,3-butadiene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.413200000000003 | RDKit |
| Molar Refractivity | 70.95200000000004 | RDKit |
