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1,3,5-Triphenylbenzene
CAS: 612-71-5 | C24H18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
612-71-5
Molecular Formula:
C24H18
Molecular Mass:
306.41 g/mol
Names and Synonyms:
1,3,5-Triphenylbenzene
1,1′:3′,1′′-Terphenyl, 5′-phenyl-
m-Terphenyl, 5′-phenyl-
5′-Phenyl-1,1′:3′,1′′-terphenyl
Benzene, 1,3,5-triphenyl-
1,3,5-Triphenylbenzene
1,1′-Biphenyl, 3,5-diphenyl-
5′-Phenyl-m-terphenyl
NSC 17358
Identifiers:
SMILES:
c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChI:
InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H
Key Properties
Boiling Point
462 °C
CAS Common Chemistry
Melting Point
176 °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 | 306.41 g/mol | CAS Common Chemistry |
| 306.408 g/mol | RDKit | |
| 306.140850576 g/mol | RDKit | |
| Boiling Point | 462 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C2=CC(=CC(=C2)C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H | CAS Common Chemistry |
| InChI Key | InChIKey=SXWIAEOZZQADEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176 °C | CAS Common Chemistry |
| Name | 1,3,5-Triphenylbenzene | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.687600000000005 | RDKit |
| Molar Refractivity | 102.75000000000001 | RDKit |
