bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride

C26H32Cl2SiZr-2 — CID 87774436

IUPACbis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
SMILESCC(C)C[Si](=[Zr+2])CC(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H18Si.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)5-9-6-8(3)4;1-2-4-5-3-1;;;/h1-9H;7-8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyCRJBYLBMCZJAQB-UHFFFAOYSA-L
MW534.76 g/mol
LogP1.86
Rot. Bonds4

About bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride

bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride (PubChem CID 87774436) has the molecular formula C26H32Cl2SiZr-2 and a molecular weight of 534.76 g/mol. Its IUPAC name is bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Namebis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
PubChem CID87774436
Molecular FormulaC26H32Cl2SiZr-2
Molecular Weight534.76 g/mol
Exact Mass532.07
IUPAC Namebis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
SMILESCC(C)C[Si](=[Zr+2])CC(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H18Si.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)5-9-6-8(3)4;1-2-4-5-3-1;;;/h1-9H;7-8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyCRJBYLBMCZJAQB-UHFFFAOYSA-L
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.76
LogP ≤ 51.86
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

cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
CID 173379848
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride
CID 18407437
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
CID 86749727
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
CID 173221097
cyclopenta-1,3-diene;2,4-dicyclopentylpentan-3-ylidenezirconium(2+);9H-fluoren-9-ide;dichloride
CID 87774476
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87137180
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
CID 173276833

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The IUPAC name of bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride (CID 87774436) is bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride.
What is the SMILES notation for bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The canonical SMILES for bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride is CC(C)C[Si](=[Zr+2])CC(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The InChIKey is CRJBYLBMCZJAQB-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H18Si.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)5-9-6-8(3)4;1-2-4-5-3-1;;;/h1-9H;7-8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride has a molecular weight of 534.76 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)silylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 87774436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).