cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)

C21H22SiZr — CID 154431960

IUPACcyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
SMILESC[Si](C)(C)c1cc[cH-]c1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H13Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2,3)8-6-4-5-7-8;/h1-9H;4-7H,1-3H3;/q2*-1;+2
InChIKeyUEZBPALQZVQVSL-UHFFFAOYSA-N
MW393.72 g/mol
LogP5.66
Rot. Bonds1

About cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)

cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+) (PubChem CID 154431960) has the molecular formula C21H22SiZr and a molecular weight of 393.72 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
PubChem CID154431960
Molecular FormulaC21H22SiZr
Molecular Weight393.72 g/mol
Exact Mass392.05
IUPAC Namecyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
SMILESC[Si](C)(C)c1cc[cH-]c1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H13Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2,3)8-6-4-5-7-8;/h1-9H;4-7H,1-3H3;/q2*-1;+2
InChIKeyUEZBPALQZVQVSL-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.72
LogP ≤ 55.66
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'}

Analyze cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-phenylindane
CID 22924
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
Bis(indenyl)zirconium dichloride
CID 15789605
Ethylenebis(indenyl)zirconium dichloride
CID 15806102
9H-Fluorene, 9-(1-methylethyl)-
CID 18696
9-Propyl-9H-fluorene
CID 178017
9H-Fluoren-9-yllithium
CID 11789669
Dimethyl-bis(2-methyl-1H-inden-1-yl)silane
CID 4050248
9-n-Butylfluorene
CID 6427878
9-n-Hexylfluorene
CID 6427879
Biindane
CID 12776678

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)?
The IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+) (CID 154431960) is cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+).
What is the SMILES notation for cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)?
The canonical SMILES for cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+) is C[Si](C)(C)c1cc[cH-]c1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)?
The InChIKey is UEZBPALQZVQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C8H13Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-9(2,3)8-6-4-5-7-8;/h1-9H;4-7H,1-3H3;/q2*-1;+2.
What are the key properties of cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)?
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+) has a molecular weight of 393.72 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+) is sourced from PubChem (CID 154431960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).