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Tris(Triphenylphosphine)Rhodium Carbonyl Hydride
CAS: 17185-29-4 | C55H46OP3Rh
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17185-29-4
Molecular Formula:
C55H46OP3Rh
Molecular Mass:
918.80 g/mol
Names and Synonyms:
Tris(Triphenylphosphine)Rhodium Carbonyl Hydride
Rhodium, carbonylhydrotris(triphenylphosphine)-, (TB-5-23)-
Rhodium, hydrocarbonyltris(triphenylphosphine)-
(TB-5-23)-Carbonylhydrotris(triphenylphosphine)rhodium
Hydridocarbonyltris(triphenylphosphine)rhodium
Carbonylhydrotris(triphenylphosphine)rhodium
Carbonylhydridotris(triphenylphosphine)rhodium
Tris(triphenylphosphine)rhodiumcarbonylhydride
Hydrocarbonyltris(triphenylphosphine)rhodium
Hydridocarbonyltris(triphenylphosphine)rhodium(I)
trans-Carbonyl(hydrido)tris(triphenylphosphine)rhodium
trans-Hydridocarbonyltris(triphenylphosphine)rhodium
Tris(triphenylphosphine)carbonylrhodium hydride
Rhodium monocarbonyl hydrogen tris(triphenylphosphine)
Identifiers:
SMILES:
[C-]#[O+].[H].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/3C18H15P.CO.Rh.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;;;
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 | 918.80 g/mol | CAS Common Chemistry |
| 918.8000000000002 g/mol | RDKit | |
| 918.181654982 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(triphenylphosphine)rhodium_carbonyl_hydride | CAS Common Chemistry |
| Canonical SMILES | [H-][Rh+](C#O)([P](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)([P](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6)[P](C=7C=CC=CC7)(C=8C=CC=CC8)C=9C=CC=CC9 | CAS Common Chemistry |
| InChI | InChI=1S/3C18H15P.CO.Rh.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;;; | CAS Common Chemistry |
| InChI Key | InChIKey=AACIZACVKFEETJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Carbonylhydridotris(triphenylphosphine)rhodium | CAS Common Chemistry |
| Tris(triphenylphosphine)rhodium carbonyl hydride | CAS Common Chemistry | |
| Heavy Atom Count | 60 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 9 | RDKit |
| Topological Polar Surface Area | 19.9 Ų | RDKit |
| LogP | 10.406889999999995 | RDKit |
| Molar Refractivity | 260.4854999999994 | RDKit |
