dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride

C27H26Cl2SiZr-2 — CID 18369835

IUPACdimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C15H11.C10H9.C2H6Si.2ClH.Zr/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h1-11H;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMYUCTNMDKGWRCD-UHFFFAOYSA-L
MW540.72 g/mol
LogP1.89
Rot. Bonds1

About dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride

dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride (PubChem CID 18369835) has the molecular formula C27H26Cl2SiZr-2 and a molecular weight of 540.72 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
PubChem CID18369835
Molecular FormulaC27H26Cl2SiZr-2
Molecular Weight540.72 g/mol
Exact Mass538.02
IUPAC Namedimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C15H11.C10H9.C2H6Si.2ClH.Zr/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h1-11H;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMYUCTNMDKGWRCD-UHFFFAOYSA-L
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.72
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
CID 173282953
magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
CID 172816212
diphenylsilylidenehafnium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87676842
CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
bis(2,6-dimethylphenolate);dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide)
CID 162202756
tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
CID 172741772

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride (CID 18369835) is dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride is C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].c1ccc(-c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride?
The InChIKey is MYUCTNMDKGWRCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11.C10H9.C2H6Si.2ClH.Zr/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h1-11H;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride?
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride has a molecular weight of 540.72 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 18369835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).