benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)

C95H117Cl6N6PRu3-2 — CID 159486981

About benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)

benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) (PubChem CID 159486981) has the molecular formula C95H117Cl6N6PRu3-2 and a molecular weight of 1889.92 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide).

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
• PubChem CID: 159486981
• Molecular Formula: C95H117Cl6N6PRu3-2
• Molecular Weight: 1889.92 g/mol
• Exact Mass: 1888.43
• IUPAC Name: benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
• SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=Cc1cccc2cccnc12.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cl[Ru](Cl)=Cc1cccc2cccnc12.Cl[Ru](Cl)=Cc1cccc2cccnc12.Cl[Ru](Cl)=Cc1ccccc1
• InChI: InChI=1S/C18H33P.3C13H18N.C11H9N.2C10H7N.C7H6.6ClH.3Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-2-9-5-3-6-10-7-4-8-12-11(9)10;2*1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-3-2-4-6-7;;;;;;;;;/h16-18H,1-15H2;3*6,8-9H,4-5,7H2,1-3H3;2-8H,1H2;2*1-7H;1-6H;6*1H;;;/q;3*-1;;;;;;;;;;;3*+2/p-5
• InChIKey: QPLNDLCAQPUPRP-UHFFFAOYSA-I
• XLogP: 28.58
• TPSA: 48.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1889.92
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

The IUPAC name of benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) (CID 159486981) is benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide).

What is the SMILES notation for benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

The canonical SMILES for benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=Cc1cccc2cccnc12.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cc1cc(C)c(N2[CH-]CCC2)c(C)c1.Cl[Ru](Cl)=Cc1cccc2cccnc12.Cl[Ru](Cl)=Cc1cccc2cccnc12.Cl[Ru](Cl)=Cc1ccccc1.

What is the InChIKey of benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

The InChIKey is QPLNDLCAQPUPRP-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H33P.3C13H18N.C11H9N.2C10H7N.C7H6.6ClH.3Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14;1-2-9-5-3-6-10-7-4-8-12-11(9)10;2*1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-3-2-4-6-7;;;;;;;;;/h16-18H,1-15H2;3*6,8-9H,4-5,7H2,1-3H3;2-8H,1H2;2*1-7H;1-6H;6*1H;;;/q;3*-1;;;;;;;;;;;3*+2/p-5.

What are the key properties of benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)?

benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) has a molecular weight of 1889.92 g/mol, XLogP of 28.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide) is sourced from PubChem (CID 159486981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).