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Molecule
Bis(Diphenylphosphinoethyl)Phenylphosphine
CAS: 23582-02-7 · C34H33P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23582-02-7
- Molecular Formula
- C34H33P3
- Molecular Mass
- 534.56 g/mol
Identifiers
CAS Registry Number
23582-02-7
SMILES
c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1
InChI Key
AXVOAMVQOCBPQT-UHFFFAOYSA-N
InChI
InChI=1S/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2
Names and Synonyms
- Bis(Diphenylphosphinoethyl)Phenylphosphine Common Name
- Phosphine, bis[2-(diphenylphosphino)ethyl]phenyl- Synonym
- Phosphine, [(phenylphosphinidene)diethylene]bis[diphenyl- Synonym
- Bis[2-(diphenylphosphino)ethyl]phenylphosphine Synonym
- Triphos Synonym
- Phenylbis(diphenylphosphinoethyl)phosphine Synonym
- NSC 164873 Synonym
- NSC 635021 Synonym
- ((Phenylphosphinediyl)bis(ethane-2,1-diyl))bis(diphenylphosphine) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 534.56 g/mol | CAS Common Chemistry |
| 534.5600000000003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(diphenylphosphinoethyl)phenylphosphine | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CCP(C=3C=CC=CC3)CCP(C=4C=CC=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AXVOAMVQOCBPQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C @ Solvent: Benzene, Ethanol | CAS Common Chemistry |
| Name | Triphos | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.059600000000007 | RDKit |
| 7.0596 | RDKit | |
| Molar Refractivity | 170.60799999999955 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1176 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 534.179510946 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
160
140
120
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40
20
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.
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MW = 534.56 g/mol. Edit any field — others recompute live.
