tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride

C78H68Cl2Si2Zr2-2 — CID 22335809

IUPACtetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
SMILESC[Si](=[Zr+2])c1ccccc1.C[Si](=[Zr+2])c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/4C16H13.2C7H8Si.2ClH.2Zr/c4*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-8-7-5-3-2-4-6-7;;;;/h4*2-11H,1H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyWBSAZYXAVDHUGC-UHFFFAOYSA-L
MW1314.93 g/mol
LogP14.27
Rot. Bonds6

About tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride

tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride (PubChem CID 22335809) has the molecular formula C78H68Cl2Si2Zr2-2 and a molecular weight of 1314.93 g/mol. Its IUPAC name is tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
PubChem CID22335809
Molecular FormulaC78H68Cl2Si2Zr2-2
Molecular Weight1314.93 g/mol
Exact Mass1310.23
IUPAC Nametetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
SMILESC[Si](=[Zr+2])c1ccccc1.C[Si](=[Zr+2])c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/4C16H13.2C7H8Si.2ClH.2Zr/c4*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-8-7-5-3-2-4-6-7;;;;/h4*2-11H,1H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyWBSAZYXAVDHUGC-UHFFFAOYSA-L
XLogP14.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.93
LogP ≤ 514.27
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

diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
2,7-ditert-butyl-9H-fluoren-9-ide;2-methyl-4-phenyl-1H-inden-1-ide;[methyl(phenyl)silylidene]zirconium(2+)
CID 173211848
CID 87993698
CID 87993698
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173168918
CID 173168918
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
bis(4-(4-benzylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173111924
CID 173284099
CID 173284099
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride?
The IUPAC name of tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride (CID 22335809) is tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride.
What is the SMILES notation for tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride?
The canonical SMILES for tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride is C[Si](=[Zr+2])c1ccccc1.C[Si](=[Zr+2])c1ccccc1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride?
The InChIKey is WBSAZYXAVDHUGC-UHFFFAOYSA-L. The full InChI is InChI=1S/4C16H13.2C7H8Si.2ClH.2Zr/c4*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-8-7-5-3-2-4-6-7;;;;/h4*2-11H,1H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride?
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride has a molecular weight of 1314.93 g/mol, XLogP of 14.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride is sourced from PubChem (CID 22335809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).