# Benzylidene(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)dichlororuthenium--3-bromopyridine (1/2)

**CAS:** 900169-53-1  
**PubChem CID:** [11170462](https://pubchem.ncbi.nlm.nih.gov/compound/11170462)  
**Molecular formula:** C₃₈H₄₀Br₂Cl₂N₄Ru  
**Molar mass:** 884.5 g/mol  
**IUPAC:** benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;bis(3-bromopyridine)  
**SMILES:** `CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C.C1=CC(=CN=C1)Br.C1=CC(=CN=C1)Br`  
**InChIKey:** `YDOACSUCKSODBO-UHFFFAOYSA-L`  
**InChI:** `InChI=1S/C21H26N2.C7H6.2C5H4BrN.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7-5-3-2-4-6-7;2*6-5-2-1-3-7-4-5;;;/h9-12H,7-8H2,1-6H3;1-6H;2*1-4H;2*1H;/q;;;;;;+2/p-2`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 32.3 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 47 |

## 3D structure

The molecule contains 87 atoms connected by 90 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/900169-53-1/

## Synonyms

- RefChem:1079538
- DTXCID90408298
- 900169-53-1
- SCHEMBL712813
- SCHEMBL29659309
- ALB16953
- Grubbs Catalyst(TM) 3rd Generation
- C77042

## Data sources

- [PubChem CID 11170462](https://pubchem.ncbi.nlm.nih.gov/compound/11170462)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=900169-53-1)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=900169-53-1)

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- Canonical: https://molgod.org/molecule/900169-53-1/

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**How to cite:** MolGod.org. "Benzylidene(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)dichlororuthenium--3-bromopyridine (1/2) (CAS 900169-53-1)." Last modified 2026-09-03. https://molgod.org/molecule/900169-53-1/ — for a chemical fact, cite its primary source (PubChem CID 11170462); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-03 · Generator: MOL-GOD v3.12.33*