tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane

C52H72Si — CID 173473387

IUPACtris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane
SMILESCC1=C([Si](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2C1
InChIInChI=1S/C52H72Si/c1-34-24-35-22-20-21-23-45(35)46(34)53(42-28-36(47(2,3)4)25-37(29-42)48(5,6)7,43-30-38(49(8,9)10)26-39(31-43)50(11,12)13)44-32-40(51(14,15)16)27-41(33-44)52(17,18)19/h20-23,25-33H,24H2,1-19H3
InChIKeySPXIIJUTCXRPLC-UHFFFAOYSA-N
MW725.23 g/mol
LogP12.51
Rot. Bonds4

About tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane

tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane (PubChem CID 173473387) has the molecular formula C52H72Si and a molecular weight of 725.23 g/mol. Its IUPAC name is tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane
PubChem CID173473387
Molecular FormulaC52H72Si
Molecular Weight725.23 g/mol
Exact Mass724.54
IUPAC Nametris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane
SMILESCC1=C([Si](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2C1
InChIInChI=1S/C52H72Si/c1-34-24-35-22-20-21-23-45(35)46(34)53(42-28-36(47(2,3)4)25-37(29-42)48(5,6)7,43-30-38(49(8,9)10)26-39(31-43)50(11,12)13)44-32-40(51(14,15)16)27-41(33-44)52(17,18)19/h20-23,25-33H,24H2,1-19H3
InChIKeySPXIIJUTCXRPLC-UHFFFAOYSA-N
XLogP12.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.23
LogP ≤ 512.51
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

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1,3-ditert-butyl-9H-fluorene
CID 175163483
2,3-dimethyl-1H-indene;ethane
CID 54108652
tert-butyl-dimethyl-[(2-methyl-3H-inden-1-yl)oxy]silane
CID 10491616
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CID 174422478
4-tert-butyl-1-methyl-5H-2,3-benzodiazepine
CID 11390257
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
CID 87864949
3-[(Z)-but-2-en-2-yl]-2-methyl-1H-indene
CID 142104556
dichlorozirconium;2,3-dimethyl-1H-indene
CID 174258147
2,3-dimethylbutan-2-yl-dimethyl-[(2-methyl-3H-inden-1-yl)oxy]silane
CID 86016508
3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole
CID 12761337

Frequently Asked Questions

What is the IUPAC name of tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane?
The IUPAC name of tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane (CID 173473387) is tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane.
What is the SMILES notation for tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane?
The canonical SMILES for tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane is CC1=C([Si](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2C1.
What is the InChIKey of tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane?
The InChIKey is SPXIIJUTCXRPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72Si/c1-34-24-35-22-20-21-23-45(35)46(34)53(42-28-36(47(2,3)4)25-37(29-42)48(5,6)7,43-30-38(49(8,9)10)26-39(31-43)50(11,12)13)44-32-40(51(14,15)16)27-41(33-44)52(17,18)19/h20-23,25-33H,24H2,1-19H3.
What are the key properties of tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane?
tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane has a molecular weight of 725.23 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-ditert-butylphenyl)-(2-methyl-3H-inden-1-yl)silane is sourced from PubChem (CID 173473387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).