dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide

C32H28Cl2SiZr-2 — CID 173268351

IUPACdichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
SMILESC[Si](C)=[Zr](Cl)Cl.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H15.C9H7.C2H6Si.2ClH.Zr/c1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h1-15H;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOWONZPDEJRTQEW-UHFFFAOYSA-L
MW602.79 g/mol
LogP10.61
Rot. Bonds2

About dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide

dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide (PubChem CID 173268351) has the molecular formula C32H28Cl2SiZr-2 and a molecular weight of 602.79 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide.

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
PubChem CID173268351
Molecular FormulaC32H28Cl2SiZr-2
Molecular Weight602.79 g/mol
Exact Mass600.04
IUPAC Namedichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
SMILESC[Si](C)=[Zr](Cl)Cl.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H15.C9H7.C2H6Si.2ClH.Zr/c1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h1-15H;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOWONZPDEJRTQEW-UHFFFAOYSA-L
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.79
LogP ≤ 510.61
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(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 154075918
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
CID 87398743
CID 87398743
dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride
CID 158183837
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
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
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
CID 23514276
benzhydrylidene(dichloro)zirconium;9H-fluoren-9-ide;7-phenyl-1H-inden-1-ide
CID 173081477

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide (CID 173268351) is dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide.
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide is C[Si](C)=[Zr](Cl)Cl.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide?
The InChIKey is OWONZPDEJRTQEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H15.C9H7.C2H6Si.2ClH.Zr/c1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h1-15H;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide?
dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide has a molecular weight of 602.79 g/mol, XLogP of 10.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide is sourced from PubChem (CID 173268351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).