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Molecule
Dpephos
CAS: 166330-10-5 · C36H28OP2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 166330-10-5
- Molecular Formula
- C36H28OP2
- Molecular Mass
- 538.57 g/mol
Identifiers
CAS Registry Number
166330-10-5
SMILES
c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChI Key
RYXZOQOZERSHHQ-UHFFFAOYSA-N
InChI
InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
Names and Synonyms
- Dpephos Common Name
- Phosphine, 1,1′-[(oxydi-2,1-phenylene)]bis[1,1-diphenyl- Synonym
- Phosphine, (oxydi-2,1-phenylene)bis[diphenyl- Synonym
- 1,1′-[(Oxydi-2,1-phenylene)]bis[1,1-diphenylphosphine] Synonym
- DPE-phos Synonym
- (Oxydi-2,1-phenylene)bis[diphenylphosphine] Synonym
- Bis[2-(diphenylphosphino)phenyl] ether Synonym
- 1,1′-Oxybis[2,1-phenylenebis(diphenylphosphine)] Synonym
- Bis[2-(diphenylphosphanyl)phenyl] ether Synonym
- 2,2′-Bis(diphenylphosphino)diphenyl ether Synonym
- Bis[2-(diphenylphosphine)phenyl] ether Synonym
- [2-[2-(Diphenylphosphanyl)phenoxy]phenyl]diphenylphosphane Synonym
- [2-(2-Diphenylphosphanylphenoxy)phenyl]-diphenylphosphane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 538.57 g/mol | CAS Common Chemistry |
| 538.5670000000002 g/mol | RDKit | |
| 538.567 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DPEphos | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1P(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4P(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H | CAS Common Chemistry |
| InChI Key | InChIKey=RYXZOQOZERSHHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis[2-(diphenylphosphino)phenyl] ether | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 6.995300000000008 | RDKit |
| 6.9953 | RDKit | |
| 6.93 | chempirical lib | |
| Molar Refractivity | 170.36999999999958 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 538.161538776 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 538.57 g/mol. Edit any field — others recompute live.
