4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride

C45H54Cl2SiZr-2 — CID 160692321

About 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride

4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride (PubChem CID 160692321) has the molecular formula C45H54Cl2SiZr-2 and a molecular weight of 785.14 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride.

Molecular Properties

• Compound Name: 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride
• PubChem CID: 160692321
• Molecular Formula: C45H54Cl2SiZr-2
• Molecular Weight: 785.14 g/mol
• Exact Mass: 782.24
• IUPAC Name: 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride
• SMILES: CCC(C)c1ccc(-c2cccc3[cH-]c(C)cc23)cc1.CCCC(C)c1cc2c(-c3ccc(C(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/C23H27.C20H21.C2H6Si.2ClH.Zr/c1-5-7-17(4)21-14-20-8-6-9-22(23(20)15-21)19-12-10-18(11-13-19)16(2)3;1-4-15(3)16-8-10-17(11-9-16)19-7-5-6-18-12-14(2)13-20(18)19;1-3-2;;;/h6,8-17H,5,7H2,1-4H3;5-13,15H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: DRTCUPJVKBJHRM-UHFFFAOYSA-L
• XLogP: 8.09
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.14
LogP ≤ 5	8.09
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 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride?

The IUPAC name of 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride (CID 160692321) is 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride.

What is the SMILES notation for 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride?

The canonical SMILES for 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride is CCC(C)c1ccc(-c2cccc3[cH-]c(C)cc23)cc1.CCCC(C)c1cc2c(-c3ccc(C(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride?

The InChIKey is DRTCUPJVKBJHRM-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27.C20H21.C2H6Si.2ClH.Zr/c1-5-7-17(4)21-14-20-8-6-9-22(23(20)15-21)19-12-10-18(11-13-19)16(2)3;1-4-15(3)16-8-10-17(11-9-16)19-7-5-6-18-12-14(2)13-20(18)19;1-3-2;;;/h6,8-17H,5,7H2,1-4H3;5-13,15H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride?

4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride has a molecular weight of 785.14 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-butan-2-ylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);2-pentan-2-yl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dichloride is sourced from PubChem (CID 160692321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).