Back to Search
Molecule
2-Phenylindole
CAS: 948-65-2 · C14H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 948-65-2
- Molecular Formula
- C14H11N
- Molecular Mass
- 193.25 g/mol
Identifiers
CAS Registry Number
948-65-2
SMILES
c1ccc(-c2cc3ccccc3[nH]2)cc1
InChI Key
KLLLJCACIRKBDT-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H
Names and Synonyms
- 2-Phenylindole Synonym
- 1H-Indole, 2-phenyl- Synonym
- Indole, 2-phenyl- Synonym
- 2-Phenyl-1H-indole Synonym
- α-Phenylindole Synonym
- 2-Phenylindole Synonym
- Stabilizer I Synonym
- NSC 15776 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Phenylindole | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C2=CC=3C=CC=CC3N2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H | CAS Common Chemistry |
| InChI Key | InChIKey=KLLLJCACIRKBDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190.5 °C | CAS Common Chemistry |
| Name | 2-Phenylindole | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 15.79 Ų | RDKit |
| LogP | 3.834900000000002 | RDKit |
| 3.8349 | RDKit | |
| Molar Refractivity | 63.73470000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.089149352 g/mol | RDKit |
| Boiling Point | 195-200 °C @ 6 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
Convert
Quick conversion
MW = 193.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11N.
