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Trans-1,2-Bis(Diphenylphosphino)Ethene
CAS: 983-81-3 | C26H22P2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
983-81-3
Molecular Formula:
C26H22P2
Molecular Mass:
396.41 g/mol
Names and Synonyms:
Trans-1,2-Bis(Diphenylphosphino)Ethene
Phosphine, 1,1′-(1E)-1,2-ethenediylbis[1,1-diphenyl-
Phosphine, vinylenebis[diphenyl-, (E)-
Phosphine, 1,2-ethenediylbis[diphenyl-, (E)-
Phosphine, (1E)-1,2-ethenediylbis[diphenyl-
1,1′-(1E)-1,2-Ethenediylbis[1,1-diphenylphosphine]
(E)-Vinylenebis[diphenylphosphine]
trans-1,2-Bis(diphenylphosphino)ethene
(E)-1,2-Bis(diphenylphosphino)ethene
(E)-1,2-Bis(diphenylphosphino)ethylene
NSC 132587
trans-Bis(diphenylphosphino)ethylene
trans-1,2-Ethenediylbis(diphenylphosphine)
Trans-dppen
Identifiers:
SMILES:
C(=C/P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
Key Properties
Melting Point
125-126 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 396.41 g/mol | CAS Common Chemistry |
| 396.119673964 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=CP(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+ | CAS Common Chemistry |
| InChI Key | InChIKey=NCKJIJSEWKIXAT-QURGRASLSA-N | CAS Common Chemistry |
| Melting Point | 125-126 °C | CAS Common Chemistry |
| Name | trans-1,2-Bis(diphenylphosphino)ethene | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.723400000000005 | RDKit |
| Molar Refractivity | 127.284 | RDKit |
