bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride

C72H72Cl2Si2Zr2-2 — CID 18008267

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C17H15.2C2H6Si.2ClH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;2*1-3-2;;;;/h4*3-12H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyLDYWRHXLRWCXSA-UHFFFAOYSA-L
MW1246.89 g/mol
LogP14.73
Rot. Bonds8

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

bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride (PubChem CID 18008267) has the molecular formula C72H72Cl2Si2Zr2-2 and a molecular weight of 1246.89 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
PubChem CID18008267
Molecular FormulaC72H72Cl2Si2Zr2-2
Molecular Weight1246.89 g/mol
Exact Mass1242.27
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C17H15.2C2H6Si.2ClH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;2*1-3-2;;;;/h4*3-12H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyLDYWRHXLRWCXSA-UHFFFAOYSA-L
XLogP14.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.89
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 18008225
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008261
CID 173313790
CID 173313790
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173142083
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 173142082
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride (CID 18008267) is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride?
The InChIKey is LDYWRHXLRWCXSA-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H15.2C2H6Si.2ClH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;2*1-3-2;;;;/h4*3-12H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride has a molecular weight of 1246.89 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 18008267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).