2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

C29H34Cl2SiZr-2 — CID 157218925

About 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 157218925) has the molecular formula C29H34Cl2SiZr-2 and a molecular weight of 572.81 g/mol. Its IUPAC name is 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

• Compound Name: 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
• PubChem CID: 157218925
• Molecular Formula: C29H34Cl2SiZr-2
• Molecular Weight: 572.81 g/mol
• Exact Mass: 570.09
• IUPAC Name: 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
• SMILES: CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cccc3[cH-]c(C4CC4)cc23)cc1
• InChI: InChI=1S/C18H15.C9H13.C2H6Si.2ClH.Zr/c1-2-5-14(6-3-1)17-8-4-7-15-11-16(12-18(15)17)13-9-10-13;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-8,11-13H,9-10H2;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: ADZGOIRGXAVRJB-UHFFFAOYSA-L
• XLogP: 2.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.81
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?

The IUPAC name of 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (CID 157218925) is 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

What is the SMILES notation for 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?

The canonical SMILES for 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);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(-c2cccc3[cH-]c(C4CC4)cc23)cc1.

What is the InChIKey of 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?

The InChIKey is ADZGOIRGXAVRJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15.C9H13.C2H6Si.2ClH.Zr/c1-2-5-14(6-3-1)17-8-4-7-15-11-16(12-18(15)17)13-9-10-13;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-8,11-13H,9-10H2;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?

2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 572.81 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 157218925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).