tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride

C68H60F2Zr2-2 — CID 18365664

IUPACtetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.[F-].[F-].[Zr+2].[Zr+2]
InChIInChI=1S/4C17H15.2FH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;/h4*3-12H,2H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyWQPOCIBJXCQNIQ-UHFFFAOYSA-L
MW1097.67 g/mol
LogP13.16
Rot. Bonds8

About tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride

tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride (PubChem CID 18365664) has the molecular formula C68H60F2Zr2-2 and a molecular weight of 1097.67 g/mol. Its IUPAC name is tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride.

Molecular Properties

Compound Nametetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
PubChem CID18365664
Molecular FormulaC68H60F2Zr2-2
Molecular Weight1097.67 g/mol
Exact Mass1094.28
IUPAC Nametetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.[F-].[F-].[Zr+2].[Zr+2]
InChIInChI=1S/4C17H15.2FH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;/h4*3-12H,2H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyWQPOCIBJXCQNIQ-UHFFFAOYSA-L
XLogP13.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.67
LogP ≤ 513.16
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

tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
CID 173313790
CID 173313790
CID 87823190
CID 87823190
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
dichloro(dimethylstannanylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216418
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524
CID 173162550
CID 173162550
CID 87865734
CID 87865734

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride?
The IUPAC name of tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride (CID 18365664) is tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride.
What is the SMILES notation for tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride?
The canonical SMILES for tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.[F-].[F-].[Zr+2].[Zr+2].
What is the InChIKey of tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride?
The InChIKey is WQPOCIBJXCQNIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H15.2FH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;/h4*3-12H,2H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride?
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride has a molecular weight of 1097.67 g/mol, XLogP of 13.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride is sourced from PubChem (CID 18365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).