dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane

C50H64Si — CID 162291107

IUPACdibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
SMILESCCCC[Si](CCCC)(C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C50H64Si/c1-12-14-30-51(31-15-13-2,47-35(5)32-45-40(18-16-20-42(45)47)36-22-26-38(27-23-36)49(6,7)8)48-43-21-17-19-41(46(43)33-44(48)34(3)4)37-24-28-39(29-25-37)50(9,10)11/h16-29,32-34,47-48H,12-15,30-31H2,1-11H3
InChIKeyFNNZGXJUMNEDHP-UHFFFAOYSA-N
MW693.15 g/mol
LogP15.08
Rot. Bonds11

About dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane

dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane (PubChem CID 162291107) has the molecular formula C50H64Si and a molecular weight of 693.15 g/mol. Its IUPAC name is dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
PubChem CID162291107
Molecular FormulaC50H64Si
Molecular Weight693.15 g/mol
Exact Mass692.48
IUPAC Namedibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
SMILESCCCC[Si](CCCC)(C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C50H64Si/c1-12-14-30-51(31-15-13-2,47-35(5)32-45-40(18-16-20-42(45)47)36-22-26-38(27-23-36)49(6,7)8)48-43-21-17-19-41(46(43)33-44(48)34(3)4)37-24-28-39(29-25-37)50(9,10)11/h16-29,32-34,47-48H,12-15,30-31H2,1-11H3
InChIKeyFNNZGXJUMNEDHP-UHFFFAOYSA-N
XLogP15.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.15
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
CID 22994968
dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 22994949
CID 91311200
CID 91311200
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
CID 162724348
CID 162724348
chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
CID 140664464
CID 142753465
CID 142753465
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
CID 174294695
CID 174294695
CID 174779987
CID 174779987
bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
CID 22994891

Frequently Asked Questions

What is the IUPAC name of dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
The IUPAC name of dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane (CID 162291107) is dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane.
What is the SMILES notation for dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
The canonical SMILES for dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane is CCCC[Si](CCCC)(C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.
What is the InChIKey of dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
The InChIKey is FNNZGXJUMNEDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64Si/c1-12-14-30-51(31-15-13-2,47-35(5)32-45-40(18-16-20-42(45)47)36-22-26-38(27-23-36)49(6,7)8)48-43-21-17-19-41(46(43)33-44(48)34(3)4)37-24-28-39(29-25-37)50(9,10)11/h16-29,32-34,47-48H,12-15,30-31H2,1-11H3.
What are the key properties of dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane?
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane has a molecular weight of 693.15 g/mol, XLogP of 15.08, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane is sourced from PubChem (CID 162291107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).