cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride

C25H32Cl2OSi2Zr-2 — CID 162005941

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride
SMILESC[Si](=[Zr+2])CCCO[Si](C)(C)C.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C7H18OSi2.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-7-5-6-8-10(2,3)4;1-2-4-5-3-1;;;/h1-9H;5-7H2,1-4H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeySJQNCYHENHJNSJ-UHFFFAOYSA-L
MW566.83 g/mol
LogP1.52
Rot. Bonds5

About cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride

cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride (PubChem CID 162005941) has the molecular formula C25H32Cl2OSi2Zr-2 and a molecular weight of 566.83 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride
PubChem CID162005941
Molecular FormulaC25H32Cl2OSi2Zr-2
Molecular Weight566.83 g/mol
Exact Mass564.04
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride
SMILESC[Si](=[Zr+2])CCCO[Si](C)(C)C.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C7H18OSi2.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-7-5-6-8-10(2,3)4;1-2-4-5-3-1;;;/h1-9H;5-7H2,1-4H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeySJQNCYHENHJNSJ-UHFFFAOYSA-L
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.83
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 160548859
cyclopenta-1,3-diene;9H-fluoren-9-ide;[[2-hydroxyethyl(dimethyl)silyl]-methylsilylidene]zirconium(2+);dichloride
CID 158703055
CID 158536136
CID 158536136
cyclopenta-1,3-diene;dichloro(dimethylsilylidene)hafnium;9H-fluoren-9-ide
CID 174047741
cyclopenta-1,3-diene;1H-inden-1-ide;[methyl(trimethylsilyloxymethoxy)silylidene]zirconium(2+);dichloride
CID 159392494
CID 173225769
CID 173225769
cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
CID 174047756
tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane
CID 87935803
benzhydrylidenezirconium;cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 159016680
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dihydrochloride
CID 172770329
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane
CID 87936219

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride (CID 162005941) is cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride is C[Si](=[Zr+2])CCCO[Si](C)(C)C.[Cl-].[Cl-].c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride?
The InChIKey is SJQNCYHENHJNSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C7H18OSi2.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9-7-5-6-8-10(2,3)4;1-2-4-5-3-1;;;/h1-9H;5-7H2,1-4H3;1-5H;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride?
cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride has a molecular weight of 566.83 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride is sourced from PubChem (CID 162005941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).