dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

C26H30Cl2SiZr-2 — CID 90238526

IUPACdimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.C2H6Si.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-11H;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXKLJVRSIGXETNB-UHFFFAOYSA-L
MW532.74 g/mol
LogP1.74
Rot. Bonds1

About dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 90238526) has the molecular formula C26H30Cl2SiZr-2 and a molecular weight of 532.74 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
PubChem CID90238526
Molecular FormulaC26H30Cl2SiZr-2
Molecular Weight532.74 g/mol
Exact Mass530.06
IUPAC Namedimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.C2H6Si.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-11H;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXKLJVRSIGXETNB-UHFFFAOYSA-L
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.74
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (CID 90238526) is dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The InChIKey is XKLJVRSIGXETNB-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11.C9H13.C2H6Si.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-11H;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 532.74 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 90238526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).