magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane

C42H46MgSi — CID 22253520

About magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane

magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane (PubChem CID 22253520) has the molecular formula C42H46MgSi and a molecular weight of 603.22 g/mol. Its IUPAC name is magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane
• PubChem CID: 22253520
• Molecular Formula: C42H46MgSi
• Molecular Weight: 603.22 g/mol
• Exact Mass: 602.32
• IUPAC Name: magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane
• SMILES: Cc1[cH-]c2cccc(-c3ccc(C(C)(C)C)cc3)c2c1[Si](C)(C)c1c(C)[cH-]c2cccc(-c3ccc(C(C)(C)C)cc3)c12.[Mg+2]
• InChI: InChI=1S/C42H46Si.Mg/c1-27-25-31-13-11-15-35(29-17-21-33(22-18-29)41(3,4)5)37(31)39(27)43(9,10)40-28(2)26-32-14-12-16-36(38(32)40)30-19-23-34(24-20-30)42(6,7)8;/h11-26H,1-10H3;/q-2;+2
• InChIKey: WPIHIIDFJFFNIA-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.22
LogP ≤ 5	10.42
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 magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane?

The IUPAC name of magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane (CID 22253520) is magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane.

What is the SMILES notation for magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane?

The canonical SMILES for magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane is Cc1[cH-]c2cccc(-c3ccc(C(C)(C)C)cc3)c2c1[Si](C)(C)c1c(C)[cH-]c2cccc(-c3ccc(C(C)(C)C)cc3)c12.[Mg+2].

What is the InChIKey of magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane?

The InChIKey is WPIHIIDFJFFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46Si.Mg/c1-27-25-31-13-11-15-35(29-17-21-33(22-18-29)41(3,4)5)37(31)39(27)43(9,10)40-28(2)26-32-14-12-16-36(38(32)40)30-19-23-34(24-20-30)42(6,7)8;/h11-26H,1-10H3;/q-2;+2.

What are the key properties of magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane?

magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane has a molecular weight of 603.22 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane is sourced from PubChem (CID 22253520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).