dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane

C30H51Cl2N2O3PRuSi — CID 58330307

IUPACdichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[Ru](Cl)Cl.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1
InChIInChI=1S/C18H33P.C11H15N2O3Si.CH2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;;;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1H2;2*1H;/q;-1;;;;+2/p-1
InChIKeyXYSYKEAXFYXQEY-UHFFFAOYSA-M
MW718.78 g/mol
LogP6.69
Rot. Bonds6

About dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane

dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane (PubChem CID 58330307) has the molecular formula C30H51Cl2N2O3PRuSi and a molecular weight of 718.78 g/mol. Its IUPAC name is dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane.

Molecular Properties

Compound Namedichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
PubChem CID58330307
Molecular FormulaC30H51Cl2N2O3PRuSi
Molecular Weight718.78 g/mol
Exact Mass718.18
IUPAC Namedichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[Ru](Cl)Cl.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1
InChIInChI=1S/C18H33P.C11H15N2O3Si.CH2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;;;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1H2;2*1H;/q;-1;;;;+2/p-1
InChIKeyXYSYKEAXFYXQEY-UHFFFAOYSA-M
XLogP6.69
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.78
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
The IUPAC name of dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane (CID 58330307) is dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane.
What is the SMILES notation for dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
The canonical SMILES for dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[Ru](Cl)Cl.CN1C=CN(Cc2ccc([Si](O)(O)O)cc2)[CH-]1.
What is the InChIKey of dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
The InChIKey is XYSYKEAXFYXQEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C11H15N2O3Si.CH2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)17(14,15)16;;;;/h16-18H,1-15H2;2-7,9,14-16H,8H2,1H3;1H2;2*1H;/q;-1;;;;+2/p-1.
What are the key properties of dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane?
dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane has a molecular weight of 718.78 g/mol, XLogP of 6.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(methylidene)ruthenium;tricyclohexylphosphanium;trihydroxy-[4-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]phenyl]silane is sourced from PubChem (CID 58330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).