[2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane

C24H32SSi — CID 101433462

IUPAC[2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane
SMILESCc1ccc(-c2sc3ccccc3c2[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C24H32SSi/c1-16(2)26(17(3)4,18(5)6)24-21-10-8-9-11-22(21)25-23(24)20-14-12-19(7)13-15-20/h8-18H,1-7H3
InChIKeyPETQLPQPRFFJHG-UHFFFAOYSA-N
MW380.67 g/mol
LogP7.76
Rot. Bonds5

About [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane

[2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane (PubChem CID 101433462) has the molecular formula C24H32SSi and a molecular weight of 380.67 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane
PubChem CID101433462
Molecular FormulaC24H32SSi
Molecular Weight380.67 g/mol
Exact Mass380.20
IUPAC Name[2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane
SMILESCc1ccc(-c2sc3ccccc3c2[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C24H32SSi/c1-16(2)26(17(3)4,18(5)6)24-21-10-8-9-11-22(21)25-23(24)20-14-12-19(7)13-15-20/h8-18H,1-7H3
InChIKeyPETQLPQPRFFJHG-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
2-phenyl-3-[(1S)-1-phenylethyl]-1-benzothiophene
CID 134837415
2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
CID 15700633
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
3-[(1R)-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]-1-benzothiophene
CID 102576238
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
3-(4-methylphenyl)-1-benzothiophene-2-carbonitrile
CID 139640902
bis(dibenzothiophene);ethane
CID 143921746
5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole
CID 176907994
3-(4-propan-2-ylphenoxy)-2-[4-(trifluoromethyl)phenyl]-1-benzothiophene
CID 167478341
2-(5-methylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 118333894

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane?
The IUPAC name of [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane (CID 101433462) is [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane is Cc1ccc(-c2sc3ccccc3c2[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane?
The InChIKey is PETQLPQPRFFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32SSi/c1-16(2)26(17(3)4,18(5)6)24-21-10-8-9-11-22(21)25-23(24)20-14-12-19(7)13-15-20/h8-18H,1-7H3.
What are the key properties of [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane?
[2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane has a molecular weight of 380.67 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1-benzothiophen-3-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101433462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).