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

CAS: 900169-53-1
PubChem CID: 11170462
InChIKey: YDOACSUCKSODBO-UHFFFAOYSA-L
Wikidata: Q72447462
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
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
PSA: 32.3 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 47
3D structure: 87 atoms, 90 bonds

## About the compound

Benzylidene(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)dichlororuthenium--3-bromopyridine (1/2) is a chemical compound registered under CAS number 900169-53-1. Molecular formula: C₃₈H₄₀Br₂Cl₂N₄Ru. Molar mass: 884.5 g/mol. The full systematic IUPAC name is: benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;bis(3-bromopyridine). The molecule contains 87 atoms connected by 90 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton 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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