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2,4,6-Triphenyl-1,3,5-Triazine
CAS: 493-77-6 | C21H15N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
493-77-6
Molecular Formula:
C21H15N3
Molecular Mass:
309.37 g/mol
Names and Synonyms:
2,4,6-Triphenyl-1,3,5-Triazine
1,3,5-Triazine, 2,4,6-triphenyl-
s-Triazine, 2,4,6-triphenyl-
2,4,6-Triphenyl-1,3,5-triazine
Cyaphenine
Triphenyl-s-triazine
2,4,6-Triphenyl-s-triazine
2,4,6-Triphenyltriazine
Kyaphenine
NSC 46521
Identifiers:
SMILES:
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChI:
InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
Key Properties
Melting Point
170 °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 | 309.37 g/mol | CAS Common Chemistry |
| 309.372 g/mol | RDKit | |
| 309.12659748000004 g/mol | RDKit | |
| Canonical SMILES | N=1C(=NC(=NC1C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=HBQUOLGAXBYZGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170 °C | CAS Common Chemistry |
| Name | 2,4,6-Triphenyl-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| LogP | 4.872600000000004 | RDKit |
| Molar Refractivity | 96.135 | RDKit |
