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Molecule
2-(Dicyclohexylphosphino)Biphenyl
CAS: 247940-06-3 · C24H31P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 247940-06-3
- Molecular Formula
- C24H31P
- Molecular Mass
- 350.49 g/mol
Identifiers
CAS Registry Number
247940-06-3
SMILES
c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChI Key
LCSNDSFWVKMJCT-UHFFFAOYSA-N
InChI
InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
Names and Synonyms
- 2-(Dicyclohexylphosphino)Biphenyl Synonym
- Phosphine, [1,1′-biphenyl]-2-yldicyclohexyl- Synonym
- [1,1′-Biphenyl]-2-yldicyclohexylphosphine Synonym
- o-(Dicyclohexylphosphino)biphenyl Synonym
- 2-(Dicyclohexylphosphino)biphenyl Synonym
- Dicyclohexyl(o-biphenyl)phosphine Synonym
- (1,1′-Biphenyl-2-yl)dicyclohexylphosphine Synonym
- 2-(Dicyclohexylphosphino)-1,1′-biphenyl Synonym
- Biphenyl-2-yldicyclohexylphosphine Synonym
- (2-Biphenyl)dicyclohexylphosphine Synonym
- Cy-JohnPhos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.49 g/mol | CAS Common Chemistry |
| 350.4860000000001 g/mol | RDKit | |
| 350.486 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC=CC2P(C3CCCCC3)C4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LCSNDSFWVKMJCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68.9-80.9 °C | CAS Common Chemistry |
| Name | 2-(Dicyclohexylphosphino)biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.126200000000005 | RDKit |
| 7.1262 | RDKit | |
| 6.9 | chempirical lib | |
| Molar Refractivity | 112.17800000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 350.216337622 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 350.49 g/mol. Edit any field — others recompute live.
