ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)

C32H26Zr — CID 173282953

IUPACethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
SMILESCC=[Zr+2].c1ccc(-c2cc3ccccc3[cH-]2)cc1.c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C15H11.C2H4.Zr/c2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-2;/h2*1-11H;1H,2H3;/q2*-1;;+2
InChIKeyUVELDAMPANADQX-UHFFFAOYSA-N
MW501.78 g/mol
LogP8.81
Rot. Bonds2

About ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)

ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide) (PubChem CID 173282953) has the molecular formula C32H26Zr and a molecular weight of 501.78 g/mol. Its IUPAC name is ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide).

Molecular Properties

Compound Nameethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
PubChem CID173282953
Molecular FormulaC32H26Zr
Molecular Weight501.78 g/mol
Exact Mass500.11
IUPAC Nameethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
SMILESCC=[Zr+2].c1ccc(-c2cc3ccccc3[cH-]2)cc1.c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C15H11.C2H4.Zr/c2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-2;/h2*1-11H;1H,2H3;/q2*-1;;+2
InChIKeyUVELDAMPANADQX-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 58.81
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

magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
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
2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
CID 161430637
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-phenyl-1H-inden-1-ide
CID 154603989
tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22283856
2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride
CID 23216291
bis(2-(4-tert-butylphenyl)-1H-inden-1-ide);diethylsilylidenezirconium(2+);dichloride
CID 175882219
2-phenyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 158087222
bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride
CID 162001145

Frequently Asked Questions

What is the IUPAC name of ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)?
The IUPAC name of ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide) (CID 173282953) is ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide).
What is the SMILES notation for ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)?
The canonical SMILES for ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide) is CC=[Zr+2].c1ccc(-c2cc3ccccc3[cH-]2)cc1.c1ccc(-c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)?
The InChIKey is UVELDAMPANADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11.C2H4.Zr/c2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-2;/h2*1-11H;1H,2H3;/q2*-1;;+2.
What are the key properties of ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)?
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide) has a molecular weight of 501.78 g/mol, XLogP of 8.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide) is sourced from PubChem (CID 173282953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).