2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride

C45H56Cl2Si2Zr-2 — CID 157437879

About 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride

2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride (PubChem CID 157437879) has the molecular formula C45H56Cl2Si2Zr-2 and a molecular weight of 815.25 g/mol. Its IUPAC name is 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride.

Molecular Properties

• Compound Name: 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride
• PubChem CID: 157437879
• Molecular Formula: C45H56Cl2Si2Zr-2
• Molecular Weight: 815.25 g/mol
• Exact Mass: 812.24
• IUPAC Name: 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride
• SMILES: CCC(C)c1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/C23H27.C20H23Si.C2H6Si.2ClH.Zr/c1-6-16(2)19-14-18-8-7-9-21(22(18)15-19)17-10-12-20(13-11-17)23(3,4)5;1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;1-3-2;;;/h7-16H,6H2,1-5H3;6-14H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: WRGXUITYVFHXBA-UHFFFAOYSA-L
• XLogP: 7.16
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.25
LogP ≤ 5	7.16
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-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride?

The IUPAC name of 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride (CID 157437879) is 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride.

What is the SMILES notation for 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride?

The canonical SMILES for 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride is CCC(C)c1cc2c(-c3ccc(C(C)(C)C)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc([Si](C)(C)C)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride?

The InChIKey is WRGXUITYVFHXBA-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27.C20H23Si.C2H6Si.2ClH.Zr/c1-6-16(2)19-14-18-8-7-9-21(22(18)15-19)17-10-12-20(13-11-17)23(3,4)5;1-5-15-13-17-7-6-8-19(20(17)14-15)16-9-11-18(12-10-16)21(2,3)4;1-3-2;;;/h7-16H,6H2,1-5H3;6-14H,5H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride?

2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride has a molecular weight of 815.25 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yl-4-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane;dichloride is sourced from PubChem (CID 157437879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).