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4,7-Diphenyl-1,10-Phenanthroline
CAS: 1662-01-7 | C24H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1662-01-7
Molecular Formula:
C24H16N2
Molecular Mass:
332.41 g/mol
Names and Synonyms:
4,7-Diphenyl-1,10-Phenanthroline
1,10-Phenanthroline, 4,7-diphenyl-
4,7-Diphenyl-1,10-phenanthroline
Bathophenanthroline
4,7-Diphenyl-1,10-diazaphenanthrene
1,10-Bathophenanthroline
4,7-Diphenyl-o-phenanthroline
NSC 637659
BPhen
DPA
4′,7-Diphenyl-1,10-phenanthroline
Identifiers:
SMILES:
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChI:
InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
Key Properties
Melting Point
215-216 °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 | 332.41 g/mol | CAS Common Chemistry |
| 332.40600000000006 g/mol | RDKit | |
| 332.131348512 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(C=2C=CC=CC2)=C3C=CC=4C(=NC=CC4C5=CC=CC=C5)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H | CAS Common Chemistry |
| InChI Key | InChIKey=DHDHJYNTEFLIHY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215-216 °C | CAS Common Chemistry |
| Name | 4,7-Diphenyl-1,10-phenanthroline | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 6.117000000000004 | RDKit |
| Molar Refractivity | 107.916 | RDKit |
