cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide

C22H24SiZr — CID 173379848

IUPACcyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
SMILESCC[Si](=[Zr+2])CC.[C-]1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C4H10Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-5-4-2;/h1-9H;1-3H,4H2;3-4H2,1-2H3;/q2*-1;;+2
InChIKeyPLFRRMVUSOKCMU-UHFFFAOYSA-N
MW407.74 g/mol
LogP6.58
Rot. Bonds2

About cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide

cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide (PubChem CID 173379848) has the molecular formula C22H24SiZr and a molecular weight of 407.74 g/mol. Its IUPAC name is cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
PubChem CID173379848
Molecular FormulaC22H24SiZr
Molecular Weight407.74 g/mol
Exact Mass406.07
IUPAC Namecyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
SMILESCC[Si](=[Zr+2])CC.[C-]1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C4H10Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-5-4-2;/h1-9H;1-3H,4H2;3-4H2,1-2H3;/q2*-1;;+2
InChIKeyPLFRRMVUSOKCMU-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.74
LogP ≤ 56.58
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide?
The IUPAC name of cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide (CID 173379848) is cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide.
What is the SMILES notation for cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide?
The canonical SMILES for cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide is CC[Si](=[Zr+2])CC.[C-]1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide?
The InChIKey is PLFRRMVUSOKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.C4H10Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-5-4-2;/h1-9H;1-3H,4H2;3-4H2,1-2H3;/q2*-1;;+2.
What are the key properties of cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide?
cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide has a molecular weight of 407.74 g/mol, XLogP of 6.58, 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;diethylsilylidenezirconium(2+);9H-fluoren-9-ide is sourced from PubChem (CID 173379848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).