bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride

C88H72Cl2Si2Zr2-2 — CID 22602504

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1
InChIInChI=1S/4C21H15.2C2H6Si.2ClH.2Zr/c4*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;2*1-3-2;;;;/h4*1-15H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyDUZIJRKPTPCJDQ-UHFFFAOYSA-L
MW1439.07 g/mol
LogP19.15
Rot. Bonds8

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

bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride (PubChem CID 22602504) has the molecular formula C88H72Cl2Si2Zr2-2 and a molecular weight of 1439.07 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
PubChem CID22602504
Molecular FormulaC88H72Cl2Si2Zr2-2
Molecular Weight1439.07 g/mol
Exact Mass1434.27
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1
InChIInChI=1S/4C21H15.2C2H6Si.2ClH.2Zr/c4*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;2*1-3-2;;;;/h4*1-15H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyDUZIJRKPTPCJDQ-UHFFFAOYSA-L
XLogP19.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001439.07
LogP ≤ 519.15
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

dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
CID 161496746
dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride
CID 172832484
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
CID 87398743
CID 87398743
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
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173142083
2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 161275670
dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
CID 173268351

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride (CID 22602504) is bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride is C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride?
The InChIKey is DUZIJRKPTPCJDQ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C21H15.2C2H6Si.2ClH.2Zr/c4*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;2*1-3-2;;;;/h4*1-15H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride has a molecular weight of 1439.07 g/mol, XLogP of 19.15, 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(2,4-diphenyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 22602504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).