benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)

C62H64Br2Cl4N8Ru2-2 — CID 159934020

About benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)

benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) (PubChem CID 159934020) has the molecular formula C62H64Br2Cl4N8Ru2-2 and a molecular weight of 1425.01 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide).

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
• PubChem CID: 159934020
• Molecular Formula: C62H64Br2Cl4N8Ru2-2
• Molecular Weight: 1425.01 g/mol
• Exact Mass: 1422.05
• IUPAC Name: benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
• SMILES: Brc1cccnc1.Brc1cccnc1.C=Cc1cccc2nccnc12.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cl[Ru](Cl)=Cc1cccc2nccnc12.Cl[Ru](Cl)=Cc1ccccc1
• InChI: InChI=1S/2C13H18N.C10H8N2.C9H6N2.C7H6.2C5H4BrN.4ClH.2Ru/c2*1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-2-8-4-3-5-9-10(8)12-7-6-11-9;1-7-3-2-4-8-9(7)11-6-5-10-8;1-7-5-3-2-4-6-7;2*6-5-2-1-3-7-4-5;;;;;;/h2*6,8-9H,4-5,7H2,1-3H3;2-7H,1H2;1-6H;1-6H;2*1-4H;4*1H;;/q2*-1;;;;;;;;;;2*+2/p-4
• InChIKey: QEEGDDZDRGOCHO-UHFFFAOYSA-J
• XLogP: 18.18
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.01
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

The IUPAC name of benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) (CID 159934020) is benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide).

What is the SMILES notation for benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

The canonical SMILES for benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) is Brc1cccnc1.Brc1cccnc1.C=Cc1cccc2nccnc12.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cl[Ru](Cl)=Cc1cccc2nccnc12.Cl[Ru](Cl)=Cc1ccccc1.

What is the InChIKey of benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

The InChIKey is QEEGDDZDRGOCHO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H18N.C10H8N2.C9H6N2.C7H6.2C5H4BrN.4ClH.2Ru/c2*1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-2-8-4-3-5-9-10(8)12-7-6-11-9;1-7-3-2-4-8-9(7)11-6-5-10-8;1-7-5-3-2-4-6-7;2*6-5-2-1-3-7-4-5;;;;;;/h2*6,8-9H,4-5,7H2,1-3H3;2-7H,1H2;1-6H;1-6H;2*1-4H;4*1H;;/q2*-1;;;;;;;;;;2*+2/p-4.

What are the key properties of benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) has a molecular weight of 1425.01 g/mol, XLogP of 18.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;bis(3-bromopyridine);dichloro(quinoxalin-5-ylmethylidene)ruthenium;5-ethenylquinoxaline;bis(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) is sourced from PubChem (CID 159934020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).