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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
Names and Synonyms:
2-Phenylindole
1H-Indole, 2-phenyl-
Indole, 2-phenyl-
2-Phenyl-1H-indole
α-Phenylindole
2-Phenylindole
Stabilizer I
NSC 15776
Identifiers:
SMILES:
c1ccc(-c2cc3ccccc3[nH]2)cc1
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
Key Properties
Boiling Point
195-200 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
190.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| 193.089149352 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Phenylindole | CAS Common Chemistry |
| Boiling Point | 195-200 °C @ Press: 6 Torr | 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 |
| Molar Refractivity | 63.73470000000003 | RDKit |
