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Molecule
Carbazole
CAS: 86-74-8 · C12H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 86-74-8
- Molecular Formula
- C12H9N
- Molecular Mass
- 167.21 g/mol
Identifiers
CAS Registry Number
86-74-8
SMILES
c1ccc2c(c1)[nH]c1ccccc12
InChI Key
UJOBWOGCFQCDNV-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
Names and Synonyms
- Carbazole Common Name
- 9H-Carbazole Synonym
- Carbazole Synonym
- 9-Azafluorene Synonym
- Dibenzopyrrole Synonym
- Dibenzo[b,d]pyrrole Synonym
- Diphenylenimine Synonym
- SKF 20091 Synonym
- NSC 3498 Synonym
- Chlorophenesin carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.21 g/mol | CAS Common Chemistry |
| 167.21099999999998 g/mol | RDKit | |
| 167.211 g/mol | RDKit | |
| 168.219 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbazole | CAS Common Chemistry |
| Boiling Point | 355 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)NC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H | CAS Common Chemistry |
| InChI Key | InChIKey=UJOBWOGCFQCDNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245 °C | CAS Common Chemistry |
| Name | Carbazole | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 15.79 Ų | RDKit |
| LogP | 3.3211000000000013 | RDKit |
| 3.3211 | RDKit | |
| Molar Refractivity | 55.804700000000025 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 167.073499288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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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Quick conversion
MW = 167.21 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H9N.
