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Molecule
2-(Diphenylphosphino)-2′-(N,N-Dimethylamino)Biphenyl
CAS: 240417-00-9 · C26H24NP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 240417-00-9
- Molecular Formula
- C26H24NP
- Molecular Mass
- 381.46 g/mol
Identifiers
CAS Registry Number
240417-00-9
SMILES
CN(C)c1ccccc1-c1ccccc1P(c1ccccc1)c1ccccc1
InChI Key
JGFXUYLYPITYGR-UHFFFAOYSA-N
InChI
InChI=1S/C26H24NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3
Names and Synonyms
- 2-(Diphenylphosphino)-2′-(N,N-Dimethylamino)Biphenyl Synonym
- [1,1′-Biphenyl]-2-amine, 2′-(diphenylphosphino)-N,N-dimethyl- Synonym
- 2′-(Diphenylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine Synonym
- 2-(Dimethylamino)-2′-(diphenylphosphino)biphenyl Synonym
- 2′-(Diphenylphosphino)-N,N′-dimethyl(1,1′-biphenyl)-2-amine Synonym
- 2-(Diphenylphosphino)-2′-(N,N-dimethylamino)biphenyl Synonym
- PhDavePhos Synonym
- 2-(Dimethylamino)-2′-(diphenylphosphino)-[1,1′-biphenyl] Synonym
- 2-(2-Diphenylphosphanylphenyl)-N,N-dimethylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 381.46 g/mol | CAS Common Chemistry |
| 381.459 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C=3C=CC=CC3C=4C=CC=CC4N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H24NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGFXUYLYPITYGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124-126 °C | CAS Common Chemistry |
| Name | 2-(Diphenylphosphino)-2′-(N,N-dimethylamino)biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 5.177800000000004 | RDKit |
| 5.1778 | RDKit | |
| 5.18 | chempirical lib | |
| Molar Refractivity | 124.911 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 381.16463639799997 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 |
|---|
200 ppm
180
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| 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.
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MW = 381.46 g/mol. Edit any field — others recompute live.
