tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C60H70Si — CID 123408205

IUPACtris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)(c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)=C1C
InChIInChI=1S/C60H70Si/c1-41-42(2)44(4)57(43(41)3)61(51-32-29-48(54(38-51)58(5,6)7)35-45-23-17-14-18-24-45,52-33-30-49(55(39-52)59(8,9)10)36-46-25-19-15-20-26-46)53-34-31-50(56(40-53)60(11,12)13)37-47-27-21-16-22-28-47/h14-34,38-40,43H,35-37H2,1-13H3
InChIKeyGTMCWSSAAZDDIZ-UHFFFAOYSA-N
MW819.31 g/mol
LogP13.66
Rot. Bonds10

About tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123408205) has the molecular formula C60H70Si and a molecular weight of 819.31 g/mol. Its IUPAC name is tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123408205
Molecular FormulaC60H70Si
Molecular Weight819.31 g/mol
Exact Mass818.52
IUPAC Nametris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=C(C)C(C)C([Si](c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)(c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)=C1C
InChIInChI=1S/C60H70Si/c1-41-42(2)44(4)57(43(41)3)61(51-32-29-48(54(38-51)58(5,6)7)35-45-23-17-14-18-24-45,52-33-30-49(55(39-52)59(8,9)10)36-46-25-19-15-20-26-46)53-34-31-50(56(40-53)60(11,12)13)37-47-27-21-16-22-28-47/h14-34,38-40,43H,35-37H2,1-13H3
InChIKeyGTMCWSSAAZDDIZ-UHFFFAOYSA-N
XLogP13.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.31
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(4,6-dibenzyl-2,3-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123262561
tris(3-benzyl-5-fluorophenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 88962567
tris(2,4-dibenzyl-6-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123316623
tris(2,4-dibenzyl-3,6-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123944477
tris(3,6-dibenzyl-2,4-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123658622
tris(2,5-dibenzyl-3,6-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123786242
tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 86667942
tris(3-methyl-4-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123309885
(3,5-dimethylphenyl)-bis(3,5-diphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123824449
tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140671833
tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158764980
4-benzyl-1,6-ditert-butylnaphthalene
CID 159821792

Frequently Asked Questions

What is the IUPAC name of tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 123408205) is tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC1=C(C)C(C)C([Si](c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)(c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)c2ccc(Cc3ccccc3)c(C(C)(C)C)c2)=C1C.
What is the InChIKey of tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is GTMCWSSAAZDDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H70Si/c1-41-42(2)44(4)57(43(41)3)61(51-32-29-48(54(38-51)58(5,6)7)35-45-23-17-14-18-24-45,52-33-30-49(55(39-52)59(8,9)10)36-46-25-19-15-20-26-46)53-34-31-50(56(40-53)60(11,12)13)37-47-27-21-16-22-28-47/h14-34,38-40,43H,35-37H2,1-13H3.
What are the key properties of tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 819.31 g/mol, XLogP of 13.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-benzyl-3-tert-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123408205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).