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2-Phenylquinoline
CAS: 612-96-4 | C15H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
612-96-4
Molecular Formula:
C15H11N
Molecular Mass:
205.26 g/mol
Names and Synonyms:
2-Phenylquinoline
Quinoline, 2-phenyl-
2-Phenylquinoline
α-Phenylquinoline
NSC 118137
Identifiers:
SMILES:
c1ccc(-c2ccc3ccccc3n2)cc1
InChI:
InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H
Key Properties
Boiling Point
363 °C
CAS Common Chemistry
Melting Point
86 °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 | 205.26 g/mol | CAS Common Chemistry |
| 205.089149352 g/mol | RDKit | |
| Boiling Point | 363 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=2C=CC=CC2C=CC1C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H | CAS Common Chemistry |
| InChI Key | InChIKey=FSEXLNMNADBYJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86 °C | CAS Common Chemistry |
| Name | 2-Phenylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 3.9018000000000024 | RDKit |
| Molar Refractivity | 67.17900000000003 | RDKit |
