bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride

C34H32Cl2SiZr-2 — CID 87565955

IUPACbis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10Si.2C11H11.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-10-5-3-4-9(2)11(10)7-8;;;/h1-10H;2*3-7H,1-2H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyMEPQBXHCVGZHLH-UHFFFAOYSA-L
MW630.85 g/mol
LogP1.70
Rot. Bonds2

About bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride

bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride (PubChem CID 87565955) has the molecular formula C34H32Cl2SiZr-2 and a molecular weight of 630.85 g/mol. Its IUPAC name is bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namebis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
PubChem CID87565955
Molecular FormulaC34H32Cl2SiZr-2
Molecular Weight630.85 g/mol
Exact Mass628.07
IUPAC Namebis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10Si.2C11H11.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-10-5-3-4-9(2)11(10)7-8;;;/h1-10H;2*3-7H,1-2H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyMEPQBXHCVGZHLH-UHFFFAOYSA-L
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.85
LogP ≤ 51.70
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

tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride
CID 173133719
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 18326867
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
bis(2,6-dimethylphenolate);diphenylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide)
CID 159038320
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 87410533
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
CID 87106842
CID 87106842
CID 87107741
CID 87107741

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride (CID 87565955) is bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride is Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride?
The InChIKey is MEPQBXHCVGZHLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10Si.2C11H11.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-10-5-3-4-9(2)11(10)7-8;;;/h1-10H;2*3-7H,1-2H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride?
bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride has a molecular weight of 630.85 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 87565955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).