benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)

C64H83Cl4N6OPRu2-2 — CID 162285779

About benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)

benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine) (PubChem CID 162285779) has the molecular formula C64H83Cl4N6OPRu2-2 and a molecular weight of 1327.33 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine).

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)
• PubChem CID: 162285779
• Molecular Formula: C64H83Cl4N6OPRu2-2
• Molecular Weight: 1327.33 g/mol
• Exact Mass: 1326.32
• IUPAC Name: benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)
• SMILES: CCOC=[Ru](Cl)Cl.CPC.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C21H27N2.C7H6.2C5H5N.C3H6O.C2H7P.4ClH.2Ru/c2*1-14-9-16(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*1-2-4-6-5-3-1;1-3-4-2;1-3-2;;;;;;/h2*9-13H,7-8H2,1-6H3;1-6H;2*1-5H;2H,3H2,1H3;3H,1-2H3;4*1H;;/q2*-1;;;;;;;;;;2*+2/p-4
• InChIKey: ATPKLZYDPTVFRE-UHFFFAOYSA-J
• XLogP: 17.52
• TPSA: 47.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.33
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)?

The IUPAC name of benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine) (CID 162285779) is benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine).

What is the SMILES notation for benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)?

The canonical SMILES for benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine) is CCOC=[Ru](Cl)Cl.CPC.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.c1ccncc1.c1ccncc1.

What is the InChIKey of benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)?

The InChIKey is ATPKLZYDPTVFRE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C21H27N2.C7H6.2C5H5N.C3H6O.C2H7P.4ClH.2Ru/c2*1-14-9-16(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*1-2-4-6-5-3-1;1-3-4-2;1-3-2;;;;;;/h2*9-13H,7-8H2,1-6H3;1-6H;2*1-5H;2H,3H2,1H3;3H,1-2H3;4*1H;;/q2*-1;;;;;;;;;;2*+2/p-4.

What are the key properties of benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)?

benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine) has a molecular weight of 1327.33 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine) is sourced from PubChem (CID 162285779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).