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Molecule
9-Phenylcarbazole
CAS: 1150-62-5 · C18H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1150-62-5
- Molecular Formula
- C18H13N
- Molecular Mass
- 243.31 g/mol
Identifiers
CAS Registry Number
1150-62-5
SMILES
c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChI Key
VIJYEGDOKCKUOL-UHFFFAOYSA-N
InChI
InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
Names and Synonyms
- 9-Phenylcarbazole Systematic Name
- 9H-Carbazole, 9-phenyl- Synonym
- Carbazole, 9-phenyl- Synonym
- 9-Phenyl-9H-carbazole Synonym
- N-Phenylcarbazole Synonym
- 9-Phenylcarbazole Synonym
- NSC 10416 Synonym
- N-Phenyl-9H-carbazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.31 g/mol | CAS Common Chemistry |
| 243.309 g/mol | RDKit | |
| 244.317 g/mol | chempirical lib | |
| Canonical SMILES | C=1C=CC(=CC1)N2C=3C=CC=CC3C=4C=CC=CC42 | CAS Common Chemistry |
| InChI | InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H | CAS Common Chemistry |
| InChI Key | InChIKey=VIJYEGDOKCKUOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91-95 °C | CAS Common Chemistry |
| Name | 9-Phenylcarbazole | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| 0 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 4.93 Ų | RDKit |
| LogP | 4.783700000000003 | RDKit |
| 4.7837 | RDKit | |
| Molar Refractivity | 80.78100000000005 cm³/mol | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Exact Mass | 243.104799416 g/mol | RDKit |
| Boiling Point | 140 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 = 243.31 g/mol. Edit any field — others recompute live.
