[6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane

C44H52Si — CID 157228522

About [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane

[6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane (PubChem CID 157228522) has the molecular formula C44H52Si and a molecular weight of 608.99 g/mol. Its IUPAC name is [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
• PubChem CID: 157228522
• Molecular Formula: C44H52Si
• Molecular Weight: 608.99 g/mol
• Exact Mass: 608.38
• IUPAC Name: [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
• SMILES: CC1=Cc2c(-c3cc(C)cc(C)c3)cc(C)cc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)(C)C)c(C)c2-c1cc(C)cc(C)c1
• InChI: InChI=1S/C44H52Si/c1-25-14-26(2)17-33(16-25)35-20-29(5)21-38-36(35)22-30(6)42(38)45(12,13)43-31(7)23-37-39(43)24-40(44(9,10)11)32(8)41(37)34-18-27(3)15-28(4)19-34/h14-24,42-43H,1-13H3
• InChIKey: CGWHFOHPICBQOT-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.99
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?

The IUPAC name of [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane (CID 157228522) is [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane.

What is the SMILES notation for [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?

The canonical SMILES for [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane is CC1=Cc2c(-c3cc(C)cc(C)c3)cc(C)cc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)(C)C)c(C)c2-c1cc(C)cc(C)c1.

What is the InChIKey of [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?

The InChIKey is CGWHFOHPICBQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52Si/c1-25-14-26(2)17-33(16-25)35-20-29(5)21-38-36(35)22-30(6)42(38)45(12,13)43-31(7)23-37-39(43)24-40(44(9,10)11)32(8)41(37)34-18-27(3)15-28(4)19-34/h14-24,42-43H,1-13H3.

What are the key properties of [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?

[6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 608.99 g/mol, XLogP of 12.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 157228522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).