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Molecule
Tris(Bipyridine)Ruthenium(Ii) Chloride
CAS: 14323-06-9 · C30H24Cl2N6Ru
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14323-06-9
- Molecular Formula
- C30H24Cl2N6Ru
- Molecular Mass
- 640.54 g/mol
Identifiers
CAS Registry Number
14323-06-9
SMILES
[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChI Key
SJFYGUKHUNLZTK-UHFFFAOYSA-L
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
Names and Synonyms
- Tris(Bipyridine)Ruthenium(Ii) Chloride Common Name
- Ruthenium(2+), tris(2,2′-bipyridine-κN1,κN1′)-, chloride (1:2), (OC-6-11)- Synonym
- Ruthenium(2+), tris(2,2′-bipyridine)-, dichloride Synonym
- Ruthenium(2+), tris(2,2′-bipyridine-N,N′)-, dichloride, (OC-6-11)- Synonym
- Tris(2,2′-bipyridine)ruthenium dichloride Synonym
- Ruthenium(2+), tris(2,2′-bipyridine-κN1,κN1′)-, dichloride, (OC-6-11)- Synonym
- Tris(2,2′-bipyridine)ruthenium(II) dichloride Synonym
- Tris(2,2′-bipyridine)ruthenium(2+) dichloride Synonym
- Tris(bipyridine)ruthenium(2+) dichloride Synonym
- Tris(2,2′-bipyridine)ruthenium(II) chloride Synonym
- Tris(2,2′-bipyridine)dichlororuthenium Synonym
- Ruthenium tris(2,2′-bipyridine) dichloride Synonym
- Tris(bipyridine)ruthenium dichloride Synonym
- Tris(2,2′-bipyridyl)Ru(II) dichloride Synonym
- Ruthenium(2+), tris(2,2′-bipyridyl)-, dichloride Synonym
- Tris(2,2′-bipyridyl)ruthenium dichloride Synonym
- Tris(2,2′-bipyridyl)ruthenium(II) chloride Synonym
- Ruthenium tris(2,2′-bipyridyl) dichloride Synonym
- Dichlorotris(2,2′-bipyridyl)ruthenium(II) Synonym
- NSC 71326 Synonym
- Tris(2,2′-bipyridyl)ruthenium(2+) dichloride Synonym
- Tris(bipyridine)ruthenium(II) chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 640.54 g/mol | CAS Common Chemistry |
| 640.5400000000001 g/mol | RDKit | |
| 645.574 g/mol | chempirical lib | |
| 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 |
| 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 |
| 74.16 Ų | chempirical lib | |
| LogP | 0.4363000000000037 | RDKit |
| 0.4363 | RDKit | |
| Molar Refractivity | 142.4039999999998 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 640.0482994280001 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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20
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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 = 640.54 g/mol. Edit any field — others recompute live.
