difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide

C26H28F2Zr — CID 154603989

IUPACdifluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide
SMILESCC[c-]1c(C)c(C)c(C)c1C.F[Zr+2]F.c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C15H11.C11H17.2FH.Zr/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-6-11-9(4)7(2)8(3)10(11)5;;;/h1-11H;6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyARIQCUYDRZBFRW-UHFFFAOYSA-L
MW469.73 g/mol
LogP8.27
Rot. Bonds2

About difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide

difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide (PubChem CID 154603989) has the molecular formula C26H28F2Zr and a molecular weight of 469.73 g/mol. Its IUPAC name is difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namedifluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide
PubChem CID154603989
Molecular FormulaC26H28F2Zr
Molecular Weight469.73 g/mol
Exact Mass468.12
IUPAC Namedifluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide
SMILESCC[c-]1c(C)c(C)c(C)c1C.F[Zr+2]F.c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C15H11.C11H17.2FH.Zr/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-6-11-9(4)7(2)8(3)10(11)5;;;/h1-11H;6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyARIQCUYDRZBFRW-UHFFFAOYSA-L
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.73
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide 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

magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
2-phenyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 158087222
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-methyl-1H-cyclopenta[a]naphthalen-1-ide
CID 154603988
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
CID 173282953
anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 633568
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
CID 161430637
2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
bis(2-(3,5-dimethylphenyl)-1H-inden-1-ide);zirconium(4+);dichloride
CID 87971540
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2,4,7-trimethyl-1H-inden-1-ide
CID 154603971
2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride
CID 23216291

Frequently Asked Questions

What is the IUPAC name of difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide?
The IUPAC name of difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide (CID 154603989) is difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide.
What is the SMILES notation for difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide?
The canonical SMILES for difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide is CC[c-]1c(C)c(C)c(C)c1C.F[Zr+2]F.c1ccc(-c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide?
The InChIKey is ARIQCUYDRZBFRW-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11.C11H17.2FH.Zr/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-6-11-9(4)7(2)8(3)10(11)5;;;/h1-11H;6H2,1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide?
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide has a molecular weight of 469.73 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide is sourced from PubChem (CID 154603989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).