benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium

C84H114Cl5CuN6O4PRu2S2- — CID 160794284

About benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium

benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium (PubChem CID 160794284) has the molecular formula C84H114Cl5CuN6O4PRu2S2- and a molecular weight of 1809.93 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium.

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium
• PubChem CID: 160794284
• Molecular Formula: C84H114Cl5CuN6O4PRu2S2-
• Molecular Weight: 1809.93 g/mol
• Exact Mass: 1807.39
• IUPAC Name: benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium
• SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=CN(c1ccccc1)S(C)(=O)=O.CS(=O)(=O)N(C=[Ru](Cl)Cl)c1ccccc1.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[Cu].Cl[Ru](Cl)=Cc1ccccc1
• InChI: InChI=1S/2C21H27N2.C18H33P.C9H11NO2S.C8H9NO2S.C7H6.5ClH.Cu.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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(13(2,11)12)9-7-5-4-6-8-9;1-9(12(2,10)11)8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;;;;;;;;/h2*9-13H,7-8H2,1-6H3;16-18H,1-15H2;3-8H,1H2,2H3;1,3-7H,2H3;1-6H;5*1H;;;/q2*-1;;;;;;;;;;+1;2*+2/p-4
• InChIKey: ROJFUSDXPCIRMK-UHFFFAOYSA-J
• XLogP: 23.35
• TPSA: 87.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1809.93
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium?

The IUPAC name of benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium (CID 160794284) is benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium.

What is the SMILES notation for benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium?

The canonical SMILES for benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=CN(c1ccccc1)S(C)(=O)=O.CS(=O)(=O)N(C=[Ru](Cl)Cl)c1ccccc1.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[Cu].Cl[Ru](Cl)=Cc1ccccc1.

What is the InChIKey of benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium?

The InChIKey is ROJFUSDXPCIRMK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C21H27N2.C18H33P.C9H11NO2S.C8H9NO2S.C7H6.5ClH.Cu.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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(13(2,11)12)9-7-5-4-6-8-9;1-9(12(2,10)11)8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;;;;;;;;/h2*9-13H,7-8H2,1-6H3;16-18H,1-15H2;3-8H,1H2,2H3;1,3-7H,2H3;1-6H;5*1H;;;/q2*-1;;;;;;;;;;+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);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium?

benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium has a molecular weight of 1809.93 g/mol, XLogP of 23.35, 14 rotatable bonds, 0 hydrogen bond donors, and 8 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);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium is sourced from PubChem (CID 160794284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).