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Molecule
Tetracene
CAS: 92-24-0 · C18H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-24-0
- Molecular Formula
- C18H12
- Molecular Mass
- 228.29 g/mol
Identifiers
CAS Registry Number
92-24-0
SMILES
c1ccc2cc3cc4ccccc4cc3cc2c1
InChI Key
IFLREYGFSNHWGE-UHFFFAOYSA-N
InChI
InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
Names and Synonyms
- Tetracene Synonym
- Naphthacene Synonym
- Benz[b]anthracene Synonym
- 2,3-Benzanthrene Synonym
- Chrysogen Synonym
- Rubene Synonym
- Tetracene (hydrocarbon) Synonym
- 2,3-Benzanthracene Synonym
- Tetracene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.29 g/mol | CAS Common Chemistry |
| 228.29399999999998 g/mol | RDKit | |
| 228.294 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetracene | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=CC3=CC=4C=CC=CC4C=C3C=C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=IFLREYGFSNHWGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 357 °C | CAS Common Chemistry |
| Name | Naphthacene | CAS Common Chemistry |
| Tetracene | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.146200000000003 | RDKit |
| 5.1462 | RDKit | |
| Molar Refractivity | 78.96000000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 228.093900384 g/mol | RDKit |
| Boiling Point | 190-191 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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.
External Resources
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MW = 228.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H12.
