benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide

C35H48Cl2N2Ru-2 — CID 59365574

About benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide

benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide (PubChem CID 59365574) has the molecular formula C35H48Cl2N2Ru-2 and a molecular weight of 668.76 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide.

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide
• PubChem CID: 59365574
• Molecular Formula: C35H48Cl2N2Ru-2
• Molecular Weight: 668.76 g/mol
• Exact Mass: 668.22
• IUPAC Name: benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide
• SMILES: CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-]
• InChI: InChI=1S/C27H39N2.C7H6.CH3.2ClH.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-7-5-3-2-4-6-7;;;;/h9-14,17-21H,15-16H2,1-8H3;1-6H;1H3;2*1H;/q-1;;-1;;;+2/p-2
• InChIKey: ANAPFAIKFRTUIW-UHFFFAOYSA-L
• XLogP: 10.84
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.76
LogP ≤ 5	10.84
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;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide?

The IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide (CID 59365574) is benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide.

What is the SMILES notation for benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide?

The canonical SMILES for benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide is CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].

What is the InChIKey of benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide?

The InChIKey is ANAPFAIKFRTUIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H39N2.C7H6.CH3.2ClH.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-7-5-3-2-4-6-7;;;;/h9-14,17-21H,15-16H2,1-8H3;1-6H;1H3;2*1H;/q-1;;-1;;;+2/p-2.

What are the key properties of benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide?

benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide has a molecular weight of 668.76 g/mol, XLogP of 10.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide is sourced from PubChem (CID 59365574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).