dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride

C23H42Cl2N2PRu+ — CID 173081277

IUPACdicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride
SMILESCC1C(=C2NCCN2)CCCC1[P+](C)(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C23H42N2P.2ClH.Ru/c1-18-21(23-24-16-17-25-23)14-9-15-22(18)26(2,19-10-5-3-6-11-19)20-12-7-4-8-13-20;;;/h18-20,22,24-25H,3-17H2,1-2H3;2*1H;/q+1;;;+2/p-2
InChIKeyHSIFKXHGAIULPX-UHFFFAOYSA-L
MW549.55 g/mol
LogP-0.10
Rot. Bonds3

About dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride

dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride (PubChem CID 173081277) has the molecular formula C23H42Cl2N2PRu+ and a molecular weight of 549.55 g/mol. Its IUPAC name is dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride.

Molecular Properties

Compound Namedicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride
PubChem CID173081277
Molecular FormulaC23H42Cl2N2PRu+
Molecular Weight549.55 g/mol
Exact Mass549.15
IUPAC Namedicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride
SMILESCC1C(=C2NCCN2)CCCC1[P+](C)(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C23H42N2P.2ClH.Ru/c1-18-21(23-24-16-17-25-23)14-9-15-22(18)26(2,19-10-5-3-6-11-19)20-12-7-4-8-13-20;;;/h18-20,22,24-25H,3-17H2,1-2H3;2*1H;/q+1;;;+2/p-2
InChIKeyHSIFKXHGAIULPX-UHFFFAOYSA-L
XLogP-0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.55
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride 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 dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride?
The IUPAC name of dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride (CID 173081277) is dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride.
What is the SMILES notation for dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride?
The canonical SMILES for dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride is CC1C(=C2NCCN2)CCCC1[P+](C)(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride?
The InChIKey is HSIFKXHGAIULPX-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H42N2P.2ClH.Ru/c1-18-21(23-24-16-17-25-23)14-9-15-22(18)26(2,19-10-5-3-6-11-19)20-12-7-4-8-13-20;;;/h18-20,22,24-25H,3-17H2,1-2H3;2*1H;/q+1;;;+2/p-2.
What are the key properties of dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride?
dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride has a molecular weight of 549.55 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(3-imidazolidin-2-ylidene-2-methylcyclohexyl)-methylphosphanium;ruthenium(2+);dichloride is sourced from PubChem (CID 173081277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).