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

C54H68Cl2SiZr-2 — CID 158640964

IUPACdimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCCC4)cc23)cc1.CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCCC4)cc23)cc1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C26H31.C2H6Si.2ClH.Zr/c2*1-3-20-11-13-22(14-12-20)24-10-8-9-23-17-21(18-25(23)24)19-26(4-2)15-6-5-7-16-26;1-3-2;;;/h2*8-14,17-18H,3-7,15-16,19H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGVZWNYKRHGGHRB-UHFFFAOYSA-L
MW907.35 g/mol
LogP10.17
Rot. Bonds10

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

dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 158640964) has the molecular formula C54H68Cl2SiZr-2 and a molecular weight of 907.35 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
PubChem CID158640964
Molecular FormulaC54H68Cl2SiZr-2
Molecular Weight907.35 g/mol
Exact Mass904.35
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCCC4)cc23)cc1.CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCCC4)cc23)cc1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C26H31.C2H6Si.2ClH.Zr/c2*1-3-20-11-13-22(14-12-20)24-10-8-9-23-17-21(18-25(23)24)19-26(4-2)15-6-5-7-16-26;1-3-2;;;/h2*8-14,17-18H,3-7,15-16,19H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGVZWNYKRHGGHRB-UHFFFAOYSA-L
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.35
LogP ≤ 510.17
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-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158546048
bis(4-(2-tert-butylphenyl)-2-[(1-ethylcyclooctyl)methyl]-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159406845
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 157338860
CID 87381374
CID 87381374
CID 173068302
CID 173068302
CID 173068473
CID 173068473
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158127662
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158132037
CID 173068228
CID 173068228
4-(2-tert-butylphenyl)-2-[(1-ethylcyclohexyl)methyl]-1H-inden-1-ide;zirconium
CID 172853160
CID 173068361
CID 173068361
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride (CID 158640964) is dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride is CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCCC4)cc23)cc1.CCc1ccc(-c2cccc3[cH-]c(CC4(CC)CCCCC4)cc23)cc1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is GVZWNYKRHGGHRB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H31.C2H6Si.2ClH.Zr/c2*1-3-20-11-13-22(14-12-20)24-10-8-9-23-17-21(18-25(23)24)19-26(4-2)15-6-5-7-16-26;1-3-2;;;/h2*8-14,17-18H,3-7,15-16,19H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 907.35 g/mol, XLogP of 10.17, 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-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 158640964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).