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Molecule
Triphenylmethane
CAS: 519-73-3 · C19H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 519-73-3
- Molecular Formula
- C19H16
- Molecular Mass
- 244.34 g/mol
Identifiers
CAS Registry Number
519-73-3
SMILES
c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChI Key
AAAQKTZKLRYKHR-UHFFFAOYSA-N
InChI
InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
Names and Synonyms
- Triphenylmethane Common Name
- Benzene, 1,1′,1′′-methylidynetris- Synonym
- Methane, triphenyl- Synonym
- 1,1′,1′′-Methylidynetris[benzene] Synonym
- Triphenylmethane Synonym
- Tritane Synonym
- NSC 4049 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.34 g/mol | CAS Common Chemistry |
| 244.337 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.142 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenylmethane | CAS Common Chemistry |
| Boiling Point | 359 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H | CAS Common Chemistry |
| InChI Key | InChIKey=AAAQKTZKLRYKHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94 °C | CAS Common Chemistry |
| Name | Triphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.866800000000003 | RDKit |
| 4.8668 | RDKit | |
| Molar Refractivity | 80.27100000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 244.125200512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
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| 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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Quick conversion
MW = 244.34 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
