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1,6-Diphenyl-1,3,5-Hexatriene
CAS: 1720-32-7 | C18H16
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1720-32-7
Molecular Formula:
C18H16
Molecular Mass:
232.33 g/mol
Names and Synonyms:
1,6-Diphenyl-1,3,5-Hexatriene
Benzene, 1,1′-(1,3,5-hexatriene-1,6-diyl)bis-
1,3,5-Hexatriene, 1,6-diphenyl-
1,1′-(1,3,5-Hexatriene-1,6-diyl)bis[benzene]
1,6-Diphenylhexatriene
1,6-Diphenyl-1,3,5-hexatriene
Diphenylhexatriene
DPH
α,ω-Diphenylhexatriene
DPH (dye)
NSC 90479
Identifiers:
SMILES:
C(=CC=Cc1ccccc1)C=Cc1ccccc1
InChI:
InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H
Key Properties
Melting Point
196 °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 | 232.33 g/mol | CAS Common Chemistry |
| 232.32600000000002 g/mol | RDKit | |
| 232.125200512 g/mol | RDKit | |
| Canonical SMILES | C(=CC=CC=1C=CC=CC1)C=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H | CAS Common Chemistry |
| InChI Key | InChIKey=BOBLSBAZCVBABY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | 1,6-Diphenyl-1,3,5-hexatriene | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.969400000000004 | RDKit |
| Molar Refractivity | 80.09200000000004 | RDKit |
