dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride

C52H64Cl2SiZr-2 — CID 158546048

IUPACdimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCC4)cc23)cc1.CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCC4)cc23)cc1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C25H29.C2H6Si.2ClH.Zr/c2*1-3-19-10-12-21(13-11-19)23-9-7-8-22-16-20(17-24(22)23)18-25(4-2)14-5-6-15-25;1-3-2;;;/h2*7-13,16-17H,3-6,14-15,18H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFDGCZMWGGVZKIW-UHFFFAOYSA-L
MW879.30 g/mol
LogP9.39
Rot. Bonds10

About dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 158546048) has the molecular formula C52H64Cl2SiZr-2 and a molecular weight of 879.30 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
PubChem CID158546048
Molecular FormulaC52H64Cl2SiZr-2
Molecular Weight879.30 g/mol
Exact Mass876.32
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCC4)cc23)cc1.CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCC4)cc23)cc1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C25H29.C2H6Si.2ClH.Zr/c2*1-3-19-10-12-21(13-11-19)23-9-7-8-22-16-20(17-24(22)23)18-25(4-2)14-5-6-15-25;1-3-2;;;/h2*7-13,16-17H,3-6,14-15,18H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFDGCZMWGGVZKIW-UHFFFAOYSA-L
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.30
LogP ≤ 59.39
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-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158640964
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 157338860
bis(4-(2-tert-butylphenyl)-2-[(1-ethylcyclooctyl)methyl]-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159406845
CID 87381374
CID 87381374
CID 173068302
CID 173068302
CID 173068473
CID 173068473
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158132037
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158127662
CID 173068228
CID 173068228
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
4-(2-tert-butylphenyl)-2-[(1-ethylcyclopentyl)methyl]-1H-inden-1-ide;zirconium
CID 150547079

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride (CID 158546048) is dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride is CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCC4)cc23)cc1.CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCC4)cc23)cc1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is FDGCZMWGGVZKIW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H29.C2H6Si.2ClH.Zr/c2*1-3-19-10-12-21(13-11-19)23-9-7-8-22-16-20(17-24(22)23)18-25(4-2)14-5-6-15-25;1-3-2;;;/h2*7-13,16-17H,3-6,14-15,18H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 879.30 g/mol, XLogP of 9.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 158546048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).