bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane

C42H48Si — CID 22994891

IUPACbis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
SMILESCCC1=Cc2c(-c3ccc(C(C)C)cc3)cccc2C1[Si](C)(C)C1C(CC)=Cc2c(-c3ccc(C(C)C)cc3)cccc21
InChIInChI=1S/C42H48Si/c1-9-29-25-39-35(33-21-17-31(18-22-33)27(3)4)13-11-15-37(39)41(29)43(7,8)42-30(10-2)26-40-36(14-12-16-38(40)42)34-23-19-32(20-24-34)28(5)6/h11-28,41-42H,9-10H2,1-8H3
InChIKeySOLHVAFILLZCLZ-UHFFFAOYSA-N
MW580.93 g/mol
LogP12.54
Rot. Bonds8

About bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane

bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane (PubChem CID 22994891) has the molecular formula C42H48Si and a molecular weight of 580.93 g/mol. Its IUPAC name is bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
PubChem CID22994891
Molecular FormulaC42H48Si
Molecular Weight580.93 g/mol
Exact Mass580.35
IUPAC Namebis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
SMILESCCC1=Cc2c(-c3ccc(C(C)C)cc3)cccc2C1[Si](C)(C)C1C(CC)=Cc2c(-c3ccc(C(C)C)cc3)cccc21
InChIInChI=1S/C42H48Si/c1-9-29-25-39-35(33-21-17-31(18-22-33)27(3)4)13-11-15-37(39)41(29)43(7,8)42-30(10-2)26-40-36(14-12-16-38(40)42)34-23-19-32(20-24-34)28(5)6/h11-28,41-42H,9-10H2,1-8H3
InChIKeySOLHVAFILLZCLZ-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.93
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane (CID 22994891) is bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane is CCC1=Cc2c(-c3ccc(C(C)C)cc3)cccc2C1[Si](C)(C)C1C(CC)=Cc2c(-c3ccc(C(C)C)cc3)cccc21.
What is the InChIKey of bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane?
The InChIKey is SOLHVAFILLZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48Si/c1-9-29-25-39-35(33-21-17-31(18-22-33)27(3)4)13-11-15-37(39)41(29)43(7,8)42-30(10-2)26-40-36(14-12-16-38(40)42)34-23-19-32(20-24-34)28(5)6/h11-28,41-42H,9-10H2,1-8H3.
What are the key properties of bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane?
bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane has a molecular weight of 580.93 g/mol, XLogP of 12.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 22994891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).