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

C56H76Cl2Si3Zr-2 — CID 157338860

IUPACdimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
SMILESCCCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.CCCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C27H35Si.C2H6Si.2ClH.Zr/c2*1-5-15-27(16-6-7-17-27)20-21-18-23-9-8-10-25(26(23)19-21)22-11-13-24(14-12-22)28(2,3)4;1-3-2;;;/h2*8-14,18-19H,5-7,15-17,20H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUPLLWGMBWHUSRF-UHFFFAOYSA-L
MW995.61 g/mol
LogP10.14
Rot. Bonds12

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

dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride (PubChem CID 157338860) has the molecular formula C56H76Cl2Si3Zr-2 and a molecular weight of 995.61 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
PubChem CID157338860
Molecular FormulaC56H76Cl2Si3Zr-2
Molecular Weight995.61 g/mol
Exact Mass992.37
IUPAC Namedimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
SMILESCCCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.CCCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C27H35Si.C2H6Si.2ClH.Zr/c2*1-5-15-27(16-6-7-17-27)20-21-18-23-9-8-10-25(26(23)19-21)22-11-13-24(14-12-22)28(2,3)4;1-3-2;;;/h2*8-14,18-19H,5-7,15-17,20H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUPLLWGMBWHUSRF-UHFFFAOYSA-L
XLogP10.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.61
LogP ≤ 510.14
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

CID 87381225
CID 87381225
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
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158546048
CID 173068228
CID 173068228
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158640964
CID 173068361
CID 173068361
CID 173068527
CID 173068527
bis(4-(2-tert-butylphenyl)-2-[(1-ethylcyclooctyl)methyl]-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 159406845
dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride
CID 161008419
CID 87381374
CID 87381374

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride (CID 157338860) is dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride is CCCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCC1.CCCC1(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-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The InChIKey is UPLLWGMBWHUSRF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C27H35Si.C2H6Si.2ClH.Zr/c2*1-5-15-27(16-6-7-17-27)20-21-18-23-9-8-10-25(26(23)19-21)22-11-13-24(14-12-22)28(2,3)4;1-3-2;;;/h2*8-14,18-19H,5-7,15-17,20H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride has a molecular weight of 995.61 g/mol, XLogP of 10.14, 12 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-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride is sourced from PubChem (CID 157338860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).