bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride

C116H96Cl2Si2Zr2-2 — CID 18008225

IUPACbis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/4C23H19.2C12H10Si.2ClH.2Zr/c4*1-2-17-15-21-9-6-10-22(23(21)16-17)20-13-11-19(12-14-20)18-7-4-3-5-8-18;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-16H,2H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyQJRCJXDFIQHARK-UHFFFAOYSA-L
MW1799.57 g/mol
LogP22.51
Rot. Bonds16

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

bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 18008225) has the molecular formula C116H96Cl2Si2Zr2-2 and a molecular weight of 1799.57 g/mol. Its IUPAC name is bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
PubChem CID18008225
Molecular FormulaC116H96Cl2Si2Zr2-2
Molecular Weight1799.57 g/mol
Exact Mass1794.45
IUPAC Namebis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
SMILESCCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/4C23H19.2C12H10Si.2ClH.2Zr/c4*1-2-17-15-21-9-6-10-22(23(21)16-17)20-13-11-19(12-14-20)18-7-4-3-5-8-18;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-16H,2H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyQJRCJXDFIQHARK-UHFFFAOYSA-L
XLogP22.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001799.57
LogP ≤ 522.51
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

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
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
bis(diphenylsilylidenezirconium(2+));tetrakis(9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene);dichloride
CID 18008195
CID 173313790
CID 173313790
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008261
CID 87823190
CID 87823190
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657

Frequently Asked Questions

What is the IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride (CID 18008225) is bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride is CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(-c4ccccc4)cc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is QJRCJXDFIQHARK-UHFFFAOYSA-L. The full InChI is InChI=1S/4C23H19.2C12H10Si.2ClH.2Zr/c4*1-2-17-15-21-9-6-10-22(23(21)16-17)20-13-11-19(12-14-20)18-7-4-3-5-8-18;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*3-16H,2H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride?
bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 1799.57 g/mol, XLogP of 22.51, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 18008225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).