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Molecule
Benzo(Ghi)Perylene
CAS: 191-24-2 · C22H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 191-24-2
- Molecular Formula
- C22H12
- Molecular Mass
- 276.34 g/mol
Identifiers
CAS Registry Number
191-24-2
SMILES
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
InChI Key
GYFAGKUZYNFMBN-UHFFFAOYSA-N
InChI
InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Names and Synonyms
- Benzo(Ghi)Perylene Common Name
- Benzo[ghi]perylene Synonym
- 1,12-Benzoperylene Synonym
- 1,12-Benzperylene Synonym
- NSC 89275 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.34 g/mol | CAS Common Chemistry |
| 276.338 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzo(ghi)perylene | CAS Common Chemistry |
| Canonical SMILES | C=1C=C2C=CC3=CC=C4C=CC5=CC=CC=6C(C1)=C2C3=C4C56 | CAS Common Chemistry |
| InChI | InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=GYFAGKUZYNFMBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277 °C | CAS Common Chemistry |
| Name | Benzo[ghi]perylene | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.3282000000000025 | RDKit |
| 6.3282 | RDKit | |
| Molar Refractivity | 96.34400000000005 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 276.093900384 g/mol | RDKit |
| Boiling Point | 550 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 276.34 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
