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

C68H60Cl6Si2Zr2-2 — CID 22335819

IUPACtetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/4C16H12Cl.2C2H6Si.2ClH.2Zr/c4*1-11-9-13-3-2-4-15(16(13)10-11)12-5-7-14(17)8-6-12;2*1-3-2;;;;/h4*2-10H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyDXSZHZGWZADTLO-UHFFFAOYSA-L
MW1328.57 g/mol
LogP16.33
Rot. Bonds4

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

tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride (PubChem CID 22335819) has the molecular formula C68H60Cl6Si2Zr2-2 and a molecular weight of 1328.57 g/mol. Its IUPAC name is tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
PubChem CID22335819
Molecular FormulaC68H60Cl6Si2Zr2-2
Molecular Weight1328.57 g/mol
Exact Mass1322.05
IUPAC Nametetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/4C16H12Cl.2C2H6Si.2ClH.2Zr/c4*1-11-9-13-3-2-4-15(16(13)10-11)12-5-7-14(17)8-6-12;2*1-3-2;;;;/h4*2-10H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyDXSZHZGWZADTLO-UHFFFAOYSA-L
XLogP16.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001328.57
LogP ≤ 516.33
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

dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173111924
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(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
CID 173228625
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
CID 87993698
CID 87993698
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173281930
CID 173281930

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
The IUPAC name of tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride (CID 22335819) is tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride.
What is the SMILES notation for tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
The canonical SMILES for tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride is C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.Cc1cc2c(-c3ccc(Cl)cc3)cccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
The InChIKey is DXSZHZGWZADTLO-UHFFFAOYSA-L. The full InChI is InChI=1S/4C16H12Cl.2C2H6Si.2ClH.2Zr/c4*1-11-9-13-3-2-4-15(16(13)10-11)12-5-7-14(17)8-6-12;2*1-3-2;;;;/h4*2-10H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride has a molecular weight of 1328.57 g/mol, XLogP of 16.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride is sourced from PubChem (CID 22335819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).