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Molecule
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
Identifiers
CAS Registry Number
1662-01-7
SMILES
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChI Key
DHDHJYNTEFLIHY-UHFFFAOYSA-N
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
Names and Synonyms
- 4,7-Diphenyl-1,10-Phenanthroline Systematic Name
- 1,10-Phenanthroline, 4,7-diphenyl- Synonym
- 4,7-Diphenyl-1,10-phenanthroline Synonym
- Bathophenanthroline Synonym
- 4,7-Diphenyl-1,10-diazaphenanthrene Synonym
- 1,10-Bathophenanthroline Synonym
- 4,7-Diphenyl-o-phenanthroline Synonym
- NSC 637659 Synonym
- BPhen Synonym
- DPA Synonym
- 4′,7-Diphenyl-1,10-phenanthroline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.41 g/mol | CAS Common Chemistry |
| 332.40600000000006 g/mol | RDKit | |
| 332.406 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 |
| 24.72 Ų | chempirical lib | |
| LogP | 6.117000000000004 | RDKit |
| 6.117 | RDKit | |
| Molar Refractivity | 107.916 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 332.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 332.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H16N2.
