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1,3,5-Triphenylformazan
CAS: 531-52-2 | C19H16N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
531-52-2
Molecular Formula:
C19H16N4
Molecular Mass:
300.36 g/mol
Names and Synonyms:
1,3,5-Triphenylformazan
Methanone, phenyl(2-phenyldiazenyl)-, 2-phenylhydrazone
Formazan, 1,3,5-triphenyl-
Toluene, α-(phenylazo)-α-(phenylhydrazono)-
Diazene, phenyl[phenyl(phenylhydrazono)methyl]-
1,3,5-Triphenylformazan
NSC 2931
NSC 56467
TTC Formazan
Identifiers:
SMILES:
c1ccc(N=NC(=NNc2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H
Key Properties
Melting Point
169-170 °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 | 300.36 g/mol | CAS Common Chemistry |
| 300.36500000000007 g/mol | RDKit | |
| 300.137496512 g/mol | RDKit | |
| Canonical SMILES | N(=NC(=NNC=1C=CC=CC1)C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H | CAS Common Chemistry |
| InChI Key | InChIKey=BEIHVSJTPTXQGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169-170 °C | CAS Common Chemistry |
| Name | 1,3,5-Triphenylformazan | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 49.11 Ų | RDKit |
| LogP | 5.244200000000003 | RDKit |
| Molar Refractivity | 94.00170000000003 | RDKit |
