benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide

C41H44Cl2N2Ru-2 — CID 21029729

About benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide

benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide (PubChem CID 21029729) has the molecular formula C41H44Cl2N2Ru-2 and a molecular weight of 736.79 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide.

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide
• PubChem CID: 21029729
• Molecular Formula: C41H44Cl2N2Ru-2
• Molecular Weight: 736.79 g/mol
• Exact Mass: 736.19
• IUPAC Name: benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide
• SMILES: Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-]
• InChI: InChI=1S/C33H35N2.C7H6.CH3.2ClH.Ru/c1-22-17-24(3)30(25(4)18-22)34-21-35(31-26(5)19-23(2)20-27(31)6)33(29-15-11-8-12-16-29)32(34)28-13-9-7-10-14-28;1-7-5-3-2-4-6-7;;;;/h7-21,32-33H,1-6H3;1-6H;1H3;2*1H;/q-1;;-1;;;+2/p-2
• InChIKey: SARIGWSCGYOABU-UHFFFAOYSA-L
• XLogP: 11.68
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.79
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide?

The IUPAC name of benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide (CID 21029729) is benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide.

What is the SMILES notation for benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide?

The canonical SMILES for benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide is Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)C(c3ccccc3)C2c2ccccc2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].

What is the InChIKey of benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide?

The InChIKey is SARIGWSCGYOABU-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H35N2.C7H6.CH3.2ClH.Ru/c1-22-17-24(3)30(25(4)18-22)34-21-35(31-26(5)19-23(2)20-27(31)6)33(29-15-11-8-12-16-29)32(34)28-13-9-7-10-14-28;1-7-5-3-2-4-6-7;;;;/h7-21,32-33H,1-6H3;1-6H;1H3;2*1H;/q-1;;-1;;;+2/p-2.

What are the key properties of benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide?

benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide has a molecular weight of 736.79 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;carbanide;4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide is sourced from PubChem (CID 21029729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).