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Tris(Bipyridine)Ruthenium(Ii) Chloride
CAS: 14323-06-9 | C30H24Cl2N6Ru
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14323-06-9
Molecular Formula:
C30H24Cl2N6Ru
Molecular Mass:
640.54 g/mol
Names and Synonyms:
Tris(Bipyridine)Ruthenium(Ii) Chloride
Ruthenium(2+), tris(2,2′-bipyridine-κN1,κN1′)-, chloride (1:2), (OC-6-11)-
Ruthenium(2+), tris(2,2′-bipyridine)-, dichloride
Ruthenium(2+), tris(2,2′-bipyridine-N,N′)-, dichloride, (OC-6-11)-
Tris(2,2′-bipyridine)ruthenium dichloride
Ruthenium(2+), tris(2,2′-bipyridine-κN1,κN1′)-, dichloride, (OC-6-11)-
Tris(2,2′-bipyridine)ruthenium(II) dichloride
Tris(2,2′-bipyridine)ruthenium(2+) dichloride
Tris(bipyridine)ruthenium(2+) dichloride
Tris(2,2′-bipyridine)ruthenium(II) chloride
Tris(2,2′-bipyridine)dichlororuthenium
Ruthenium tris(2,2′-bipyridine) dichloride
Tris(bipyridine)ruthenium dichloride
Tris(2,2′-bipyridyl)Ru(II) dichloride
Ruthenium(2+), tris(2,2′-bipyridyl)-, dichloride
Tris(2,2′-bipyridyl)ruthenium dichloride
Tris(2,2′-bipyridyl)ruthenium(II) chloride
Ruthenium tris(2,2′-bipyridyl) dichloride
Dichlorotris(2,2′-bipyridyl)ruthenium(II)
NSC 71326
Tris(2,2′-bipyridyl)ruthenium(2+) dichloride
Tris(bipyridine)ruthenium(II) chloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChI:
InChI=1S/3C10H8N2.2ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
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 | 640.54 g/mol | CAS Common Chemistry |
| 640.5400000000001 g/mol | RDKit | |
| 640.0482994280001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(bipyridine)ruthenium(II)_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C=1C=C[N]2=C(C1)C=3C=CC=C[N]3[Ru+2]245([N]=6C=CC=CC6C=7C=CC=C[N]74)[N]=8C=CC=CC8C=9C=CC=C[N]95 | CAS Common Chemistry |
| InChI | InChI=1S/3C10H8N2.2ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=SJFYGUKHUNLZTK-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Tris(2,2′-bipyridyl)ruthenium(II) chloride | CAS Common Chemistry |
| Tris(bipyridine)ruthenium(II) chloride | CAS Common Chemistry | |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 77.34 Ų | RDKit |
| LogP | 0.4363000000000037 | RDKit |
| Molar Refractivity | 142.4039999999998 | RDKit |
