bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride

C72H72Cl2Si2Zr2-2 — CID 22335826

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/4C17H15.2C2H6Si.2ClH.2Zr/c4*1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;2*1-3-2;;;;/h4*3-11H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyBEKMIYRGDKHNEX-UHFFFAOYSA-L
MW1246.89 g/mol
LogP14.95
Rot. Bonds4

About bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride

bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 22335826) has the molecular formula C72H72Cl2Si2Zr2-2 and a molecular weight of 1246.89 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
PubChem CID22335826
Molecular FormulaC72H72Cl2Si2Zr2-2
Molecular Weight1246.89 g/mol
Exact Mass1242.27
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/4C17H15.2C2H6Si.2ClH.2Zr/c4*1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;2*1-3-2;;;;/h4*3-11H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyBEKMIYRGDKHNEX-UHFFFAOYSA-L
XLogP14.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.89
LogP ≤ 514.95
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'}

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Related Compounds

2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
CID 173063837
CID 173063837
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 173142082
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819
bis(4-(3,5-difluorophenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157120619
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173111924
bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
CID 87565955
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
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
CID 87993698
CID 87993698

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride (CID 22335826) is bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride is C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is BEKMIYRGDKHNEX-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H15.2C2H6Si.2ClH.2Zr/c4*1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;2*1-3-2;;;;/h4*3-11H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 1246.89 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 22335826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).