cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride

C26H21Cl2FZr-2 — CID 159682527

IUPACcyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride
SMILESC=[Zr+2].Cc1cc2c([c-]c1-c1ccc(F)cc1)Cc1ccccc1-2.[Cl-].[Cl-].c1cc[cH-]c1
InChIInChI=1S/C20H14F.C5H5.CH2.2ClH.Zr/c1-13-10-20-16(11-15-4-2-3-5-18(15)20)12-19(13)14-6-8-17(21)9-7-14;1-2-4-5-3-1;;;;/h2-10H,11H2,1H3;1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCIHQQCLQFYQYOV-UHFFFAOYSA-L
MW514.58 g/mol
LogP0.55
Rot. Bonds1

About cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride

cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride (PubChem CID 159682527) has the molecular formula C26H21Cl2FZr-2 and a molecular weight of 514.58 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride
PubChem CID159682527
Molecular FormulaC26H21Cl2FZr-2
Molecular Weight514.58 g/mol
Exact Mass512.01
IUPAC Namecyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride
SMILESC=[Zr+2].Cc1cc2c([c-]c1-c1ccc(F)cc1)Cc1ccccc1-2.[Cl-].[Cl-].c1cc[cH-]c1
InChIInChI=1S/C20H14F.C5H5.CH2.2ClH.Zr/c1-13-10-20-16(11-15-4-2-3-5-18(15)20)12-19(13)14-6-8-17(21)9-7-14;1-2-4-5-3-1;;;;/h2-10H,11H2,1H3;1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCIHQQCLQFYQYOV-UHFFFAOYSA-L
XLogP0.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenyl-1,9-dihydrofluoren-1-ide;silylidenezirconium(2+);1,2,3,4-tetramethylcyclopenta-1,3-diene;dichloride
CID 172684898
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-3-methyl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785412
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenehafnium(2+);dichloride
CID 161299506
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride
CID 160913737
CID 159626377
CID 159626377
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;diphenylsilylidenehafnium(2+);dichloride
CID 158610965
bis(4-chlorophenyl)methylidenezirconium(2+);cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-bis(2-methylphenyl)-1,9-dihydrofluoren-1-ide;dichloride
CID 160534789
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-bis(2-methylphenyl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+);dichloride
CID 158413996
bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)
CID 87295952
2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)
CID 151556902
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-bis(2-methylphenyl)-1,9-dihydrofluoren-1-ide;3,5-dimethylheptan-4-ylidenezirconium(2+);dichloride
CID 157175894
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride (CID 159682527) is cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride is C=[Zr+2].Cc1cc2c([c-]c1-c1ccc(F)cc1)Cc1ccccc1-2.[Cl-].[Cl-].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride?
The InChIKey is CIHQQCLQFYQYOV-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H14F.C5H5.CH2.2ClH.Zr/c1-13-10-20-16(11-15-4-2-3-5-18(15)20)12-19(13)14-6-8-17(21)9-7-14;1-2-4-5-3-1;;;;/h2-10H,11H2,1H3;1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride?
cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride has a molecular weight of 514.58 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride is sourced from PubChem (CID 159682527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).