bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane

C42H52Si — CID 154597159

IUPACbis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1c2cccc(-c3ccc(C(C)(C)C)cc3)c2CC1C
InChIInChI=1S/C42H52Si/c1-27-25-37-33(29-17-21-31(22-18-29)41(3,4)5)13-11-15-35(37)39(27)43(9,10)40-28(2)26-38-34(14-12-16-36(38)40)30-19-23-32(24-20-30)42(6,7)8/h11-24,27-28,39-40H,25-26H2,1-10H3
InChIKeyHQHOGRXGSAOITF-UHFFFAOYSA-N
MW584.96 g/mol
LogP11.65
Rot. Bonds4

About bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane

bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 154597159) has the molecular formula C42H52Si and a molecular weight of 584.96 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane
PubChem CID154597159
Molecular FormulaC42H52Si
Molecular Weight584.96 g/mol
Exact Mass584.38
IUPAC Namebis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane
SMILESCC1Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1c2cccc(-c3ccc(C(C)(C)C)cc3)c2CC1C
InChIInChI=1S/C42H52Si/c1-27-25-37-33(29-17-21-31(22-18-29)41(3,4)5)13-11-15-35(37)39(27)43(9,10)40-28(2)26-38-34(14-12-16-36(38)40)30-19-23-32(24-20-30)42(6,7)8/h11-24,27-28,39-40H,25-26H2,1-10H3
InChIKeyHQHOGRXGSAOITF-UHFFFAOYSA-N
XLogP11.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.96
LogP ≤ 511.65
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[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane (CID 154597159) is bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane is CC1Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1c2cccc(-c3ccc(C(C)(C)C)cc3)c2CC1C.
What is the InChIKey of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is HQHOGRXGSAOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52Si/c1-27-25-37-33(29-17-21-31(22-18-29)41(3,4)5)13-11-15-35(37)39(27)43(9,10)40-28(2)26-38-34(14-12-16-36(38)40)30-19-23-32(24-20-30)42(6,7)8/h11-24,27-28,39-40H,25-26H2,1-10H3.
What are the key properties of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane?
bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 584.96 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 154597159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).