bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride

C64H68F6Zr3+2 — CID 161434563

IUPACbis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[F-].[F-].[F-].[F-].[F-].[F-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/2C16H13.2C16H21.6FH.3Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;;;;;;;;;/h2*2-11H,1H3;2*6-11H,1-5H3;6*1H;;;/q4*-1;;;;;;;3*+4/p-6
InChIKeyVYLXBWAYHIPVKT-UHFFFAOYSA-H
MW1224.91 g/mol
LogP1.31
Rot. Bonds6

About bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride

bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride (PubChem CID 161434563) has the molecular formula C64H68F6Zr3+2 and a molecular weight of 1224.91 g/mol. Its IUPAC name is bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride.

Molecular Properties

Compound Namebis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride
PubChem CID161434563
Molecular FormulaC64H68F6Zr3+2
Molecular Weight1224.91 g/mol
Exact Mass1220.24
IUPAC Namebis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[F-].[F-].[F-].[F-].[F-].[F-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/2C16H13.2C16H21.6FH.3Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;;;;;;;;;/h2*2-11H,1H3;2*6-11H,1-5H3;6*1H;;;/q4*-1;;;;;;;3*+4/p-6
InChIKeyVYLXBWAYHIPVKT-UHFFFAOYSA-H
XLogP1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001224.91
LogP ≤ 51.31
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

hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 160745870
CID 173229784
CID 173229784
CID 173284099
CID 173284099
CID 173168918
CID 173168918
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
CID 173314158
CID 173314158
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
CID 87993698
CID 87993698
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride?
The IUPAC name of bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride (CID 161434563) is bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride.
What is the SMILES notation for bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride?
The canonical SMILES for bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[F-].[F-].[F-].[F-].[F-].[F-].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride?
The InChIKey is VYLXBWAYHIPVKT-UHFFFAOYSA-H. The full InChI is InChI=1S/2C16H13.2C16H21.6FH.3Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;;;;;;;;;/h2*2-11H,1H3;2*6-11H,1-5H3;6*1H;;;/q4*-1;;;;;;;3*+4/p-6.
What are the key properties of bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride?
bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride has a molecular weight of 1224.91 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride is sourced from PubChem (CID 161434563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).