dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene

C27H32Cl2SiZr-2 — CID 154075918

IUPACdichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1[cH-]c(C)c(C)c1C.Cc1cc2c(-c3ccccc3)cccc2[cH-]1
InChIInChI=1S/C16H13.C9H13.C2H6Si.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2-11H,1H3;5H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJHLSVTKUFDVHPC-UHFFFAOYSA-L
MW546.77 g/mol
LogP9.34
Rot. Bonds1

About dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene

dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 154075918) has the molecular formula C27H32Cl2SiZr-2 and a molecular weight of 546.77 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID154075918
Molecular FormulaC27H32Cl2SiZr-2
Molecular Weight546.77 g/mol
Exact Mass544.07
IUPAC Namedichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1[cH-]c(C)c(C)c1C.Cc1cc2c(-c3ccccc3)cccc2[cH-]1
InChIInChI=1S/C16H13.C9H13.C2H6Si.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2-11H,1H3;5H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJHLSVTKUFDVHPC-UHFFFAOYSA-L
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.77
LogP ≤ 59.34
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

hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 87993698
CID 87993698
CID 173284099
CID 173284099
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
CID 173168918
CID 173168918
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
dichloro(propylidene)zirconium;bis(2-methyl-4-phenyl-1H-inden-1-ide)
CID 87925767
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 87410533
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
CID 87931857
CID 87931857

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 154075918) is dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene is C[Si](C)=[Zr](Cl)Cl.Cc1[cH-]c(C)c(C)c1C.Cc1cc2c(-c3ccccc3)cccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is JHLSVTKUFDVHPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.C9H13.C2H6Si.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h2-11H,1H3;5H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 546.77 g/mol, XLogP of 9.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 154075918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).