cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride

C28H32Cl2SiZr-2 — CID 87775485

IUPACcyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](C1CCCC1)C1CCCC1.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C10H18Si.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-9(5-1)11-10-7-3-4-8-10;1-2-4-5-3-1;;;/h1-5,7-8H,9H2;9-10H,1-8H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyVIMLDFWRHDZTTP-UHFFFAOYSA-L
MW558.78 g/mol
LogP1.78
Rot. Bonds2

About cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride

cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride (PubChem CID 87775485) has the molecular formula C28H32Cl2SiZr-2 and a molecular weight of 558.78 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride
PubChem CID87775485
Molecular FormulaC28H32Cl2SiZr-2
Molecular Weight558.78 g/mol
Exact Mass556.07
IUPAC Namecyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](C1CCCC1)C1CCCC1.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C10H18Si.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-9(5-1)11-10-7-3-4-8-10;1-2-4-5-3-1;;;/h1-5,7-8H,9H2;9-10H,1-8H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyVIMLDFWRHDZTTP-UHFFFAOYSA-L
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.78
LogP ≤ 51.78
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

carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium;dihydrochloride
CID 87101265
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
CID 23102965
dilithium;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide
CID 19418222
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822
bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595
CID 173313985
CID 173313985
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenetitanium
CID 21256054
CID 173302368
CID 173302368
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;difluoride
CID 22323902
bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
CID 87775308
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
CID 173267556

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride?
The IUPAC name of cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride (CID 87775485) is cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](C1CCCC1)C1CCCC1.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride?
The InChIKey is VIMLDFWRHDZTTP-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C10H18Si.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-9(5-1)11-10-7-3-4-8-10;1-2-4-5-3-1;;;/h1-5,7-8H,9H2;9-10H,1-8H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride?
cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride has a molecular weight of 558.78 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride is sourced from PubChem (CID 87775485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).