dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride

C52H68Cl2Si3Zr-2 — CID 158132037

IUPACdimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
SMILESCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C25H31Si.C2H6Si.2ClH.Zr/c2*1-25(14-5-6-15-25)18-19-16-21-8-7-9-23(24(21)17-19)20-10-12-22(13-11-20)26(2,3)4;1-3-2;;;/h2*7-13,16-17H,5-6,14-15,18H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXIAIEEUVWRLIGQ-UHFFFAOYSA-L
MW939.50 g/mol
LogP8.58
Rot. Bonds8

About dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride

dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride (PubChem CID 158132037) has the molecular formula C52H68Cl2Si3Zr-2 and a molecular weight of 939.50 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
PubChem CID158132037
Molecular FormulaC52H68Cl2Si3Zr-2
Molecular Weight939.50 g/mol
Exact Mass936.31
IUPAC Namedimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
SMILESCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C25H31Si.C2H6Si.2ClH.Zr/c2*1-25(14-5-6-15-25)18-19-16-21-8-7-9-23(24(21)17-19)20-10-12-22(13-11-20)26(2,3)4;1-3-2;;;/h2*7-13,16-17H,5-6,14-15,18H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXIAIEEUVWRLIGQ-UHFFFAOYSA-L
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.50
LogP ≤ 58.58
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(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158127662
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 157338860
CID 173068527
CID 173068527
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
CID 87381225
CID 87381225
CID 87381728
CID 87381728
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158546048
CID 87381647
CID 87381647
CID 173068228
CID 173068228
4-(4-tert-butylphenyl)-2-[(1-methylcycloheptyl)methyl]-1H-inden-1-ide;dichlorozirconium
CID 89464754
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158640964
CID 173068473
CID 173068473

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride (CID 158132037) is dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride is CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The InChIKey is XIAIEEUVWRLIGQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H31Si.C2H6Si.2ClH.Zr/c2*1-25(14-5-6-15-25)18-19-16-21-8-7-9-23(24(21)17-19)20-10-12-22(13-11-20)26(2,3)4;1-3-2;;;/h2*7-13,16-17H,5-6,14-15,18H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride has a molecular weight of 939.50 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride is sourced from PubChem (CID 158132037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).