diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride

C44H36Cl2SiZr-2 — CID 162314142

IUPACdiphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C16H13.C12H10Si.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2*2-11H,1H3;1-10H;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRKIPUXLMQKRRIL-UHFFFAOYSA-L
MW754.99 g/mol
LogP4.42
Rot. Bonds4

About diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride

diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride (PubChem CID 162314142) has the molecular formula C44H36Cl2SiZr-2 and a molecular weight of 754.99 g/mol. Its IUPAC name is diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namediphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
PubChem CID162314142
Molecular FormulaC44H36Cl2SiZr-2
Molecular Weight754.99 g/mol
Exact Mass752.10
IUPAC Namediphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C16H13.C12H10Si.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2*2-11H,1H3;1-10H;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRKIPUXLMQKRRIL-UHFFFAOYSA-L
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500754.99
LogP ≤ 54.42
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-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
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
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
CID 87565955
CID 173168918
CID 173168918
CID 87993698
CID 87993698
CID 173284099
CID 173284099
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 18008225
bis(2-methyl-4-phenyl-1H-inden-1-ide);phenylboranylidenezirconium(2+);dichloride
CID 158019143

Frequently Asked Questions

What is the IUPAC name of diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?
The IUPAC name of diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride (CID 162314142) is diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?
The canonical SMILES for diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?
The InChIKey is RKIPUXLMQKRRIL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H13.C12H10Si.2ClH.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2*2-11H,1H3;1-10H;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride?
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride has a molecular weight of 754.99 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 162314142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).