1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride

C20H19Cl2SiZr- — CID 160785285

IUPAC1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESC1=CC(c2cccc3c2[cH-]c2ccccc23)C=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C18H13.C2H6Si.2ClH.Zr/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;1-3-2;;;/h1-13H;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyDZDKRJNWYYPGRR-UHFFFAOYSA-L
MW449.59 g/mol
LogP-0.29
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride

1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 160785285) has the molecular formula C20H19Cl2SiZr- and a molecular weight of 449.59 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride
PubChem CID160785285
Molecular FormulaC20H19Cl2SiZr-
Molecular Weight449.59 g/mol
Exact Mass446.97
IUPAC Name1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESC1=CC(c2cccc3c2[cH-]c2ccccc23)C=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C18H13.C2H6Si.2ClH.Zr/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;1-3-2;;;/h1-13H;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyDZDKRJNWYYPGRR-UHFFFAOYSA-L
XLogP-0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 5-0.29
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 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride with MolForge

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Related Compounds

[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 160548859
CID 173301069
CID 173301069
bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
CID 162181422
1-cyclopenta-2,4-dien-1-ylphenanthrene
CID 131717701
CID 173237152
CID 173237152
[1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
CID 87935893
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
CID 87935870
bis(3-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157153280
ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride
CID 87936336
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
lithium 1,2-dimethyl-9H-fluoren-9-ide
CID 175514215

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride (CID 160785285) is 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride is C1=CC(c2cccc3c2[cH-]c2ccccc23)C=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is DZDKRJNWYYPGRR-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13.C2H6Si.2ClH.Zr/c1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;1-3-2;;;/h1-13H;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride?
1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 449.59 g/mol, XLogP of -0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 160785285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).