bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane

C48H60Si — CID 22994977

IUPACbis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane
SMILESCCC(C)c1ccc(-c2cccc3c2C=C(CC(C)C)C3[Si](C)(C)C2C(CC(C)C)=Cc3c(-c4ccc(C(C)CC)cc4)cccc32)cc1
InChIInChI=1S/C48H60Si/c1-11-33(7)35-19-23-37(24-20-35)41-15-13-17-43-45(41)29-39(27-31(3)4)47(43)49(9,10)48-40(28-32(5)6)30-46-42(16-14-18-44(46)48)38-25-21-36(22-26-38)34(8)12-2/h13-26,29-34,47-48H,11-12,27-28H2,1-10H3
InChIKeyGRPRHMJTPNHNFO-UHFFFAOYSA-N
MW665.09 g/mol
LogP14.59
Rot. Bonds12

About bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane

bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane (PubChem CID 22994977) has the molecular formula C48H60Si and a molecular weight of 665.09 g/mol. Its IUPAC name is bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane
PubChem CID22994977
Molecular FormulaC48H60Si
Molecular Weight665.09 g/mol
Exact Mass664.45
IUPAC Namebis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane
SMILESCCC(C)c1ccc(-c2cccc3c2C=C(CC(C)C)C3[Si](C)(C)C2C(CC(C)C)=Cc3c(-c4ccc(C(C)CC)cc4)cccc32)cc1
InChIInChI=1S/C48H60Si/c1-11-33(7)35-19-23-37(24-20-35)41-15-13-17-43-45(41)29-39(27-31(3)4)47(43)49(9,10)48-40(28-32(5)6)30-46-42(16-14-18-44(46)48)38-25-21-36(22-26-38)34(8)12-2/h13-26,29-34,47-48H,11-12,27-28H2,1-10H3
InChIKeyGRPRHMJTPNHNFO-UHFFFAOYSA-N
XLogP14.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.09
LogP ≤ 514.59
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-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane (CID 22994977) is bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane is CCC(C)c1ccc(-c2cccc3c2C=C(CC(C)C)C3[Si](C)(C)C2C(CC(C)C)=Cc3c(-c4ccc(C(C)CC)cc4)cccc32)cc1.
What is the InChIKey of bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane?
The InChIKey is GRPRHMJTPNHNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60Si/c1-11-33(7)35-19-23-37(24-20-35)41-15-13-17-43-45(41)29-39(27-31(3)4)47(43)49(9,10)48-40(28-32(5)6)30-46-42(16-14-18-44(46)48)38-25-21-36(22-26-38)34(8)12-2/h13-26,29-34,47-48H,11-12,27-28H2,1-10H3.
What are the key properties of bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane?
bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane has a molecular weight of 665.09 g/mol, XLogP of 14.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-butan-2-ylphenyl)-2-(2-methylpropyl)-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 22994977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).