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Molecule
1,3,5-Triphenylformazan
CAS: 531-52-2 · C19H16N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 531-52-2
- Molecular Formula
- C19H16N4
- Molecular Mass
- 300.36 g/mol
Identifiers
CAS Registry Number
531-52-2
SMILES
c1ccc(N=NC(=NNc2ccccc2)c2ccccc2)cc1
InChI Key
BEIHVSJTPTXQGB-UHFFFAOYSA-N
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
Names and Synonyms
- 1,3,5-Triphenylformazan Synonym
- Methanone, phenyl(2-phenyldiazenyl)-, 2-phenylhydrazone Synonym
- Formazan, 1,3,5-triphenyl- Synonym
- Toluene, α-(phenylazo)-α-(phenylhydrazono)- Synonym
- Diazene, phenyl[phenyl(phenylhydrazono)methyl]- Synonym
- 1,3,5-Triphenylformazan Synonym
- NSC 2931 Synonym
- NSC 56467 Synonym
- TTC Formazan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.36 g/mol | CAS Common Chemistry |
| 300.36500000000007 g/mol | RDKit | |
| 300.365 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 |
| 5.2442 | RDKit | |
| Molar Refractivity | 94.00170000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 300.137496512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 300.36 g/mol. Edit any field — others recompute live.
