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

C21H22SiZr — CID 174666517

IUPACcyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
SMILESC[Si](C)(C)C1=[C-]CC=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;4,6H,5H2,1-3H3;/q2*-1;+2
InChIKeyWFJVSIJVHGXMKN-UHFFFAOYSA-N
MW393.72 g/mol
LogP6.26
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 174666517) 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 CID174666517
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)C1=[C-]CC=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;4,6H,5H2,1-3H3;/q2*-1;+2
InChIKeyWFJVSIJVHGXMKN-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
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

2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1-Methyl-3-phenylindane
CID 22924
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
9-dodecyl-9H-fluorene
CID 269812
9H-Fluoren-9-yllithium
CID 11789669
1-Methyl-1-phenylindan
CID 99019
1-Phenyl-3-(2-phenylpropyl)indan
CID 3019819
Dimethyl-bis(2-methyl-1H-inden-1-yl)silane
CID 4050248

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 174666517) 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)C1=[C-]CC=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 WFJVSIJVHGXMKN-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;4,6H,5H2,1-3H3;/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 6.26, 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 174666517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).