N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine

C26H31NSSi — CID 140873324

IUPACN-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
SMILESCN(c1ccccc1C(C)(C)C)c1cccc2c1sc1c([Si](C)(C)C)cccc12
InChIInChI=1S/C26H31NSSi/c1-26(2,3)20-14-8-9-15-21(20)27(4)22-16-10-12-18-19-13-11-17-23(29(5,6)7)25(19)28-24(18)22/h8-17H,1-7H3
InChIKeyPDDBHGLOYKJABA-UHFFFAOYSA-N
MW417.69 g/mol
LogP7.67
Rot. Bonds3

About N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine

N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine (PubChem CID 140873324) has the molecular formula C26H31NSSi and a molecular weight of 417.69 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
PubChem CID140873324
Molecular FormulaC26H31NSSi
Molecular Weight417.69 g/mol
Exact Mass417.19
IUPAC NameN-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
SMILESCN(c1ccccc1C(C)(C)C)c1cccc2c1sc1c([Si](C)(C)C)cccc12
InChIInChI=1S/C26H31NSSi/c1-26(2,3)20-14-8-9-15-21(20)27(4)22-16-10-12-18-19-13-11-17-23(29(5,6)7)25(19)28-24(18)22/h8-17H,1-7H3
InChIKeyPDDBHGLOYKJABA-UHFFFAOYSA-N
XLogP7.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.69
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
CID 140873226
6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 134528026
6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
CID 138652843
dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane
CID 159143305
N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528053
N-[2-[1-[3-[dibenzothiophen-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzothiophen-4-amine
CID 134528558
6-(N-iodo-2-trimethylsilylanilino)dibenzothiophene-4-carbonitrile
CID 147944146
N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
CID 134528013
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
CID 138652425
2-[(6-fluorodibenzothiophen-4-yl)-methylamino]benzonitrile
CID 134528028

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine?
The IUPAC name of N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine (CID 140873324) is N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine is CN(c1ccccc1C(C)(C)C)c1cccc2c1sc1c([Si](C)(C)C)cccc12.
What is the InChIKey of N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine?
The InChIKey is PDDBHGLOYKJABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NSSi/c1-26(2,3)20-14-8-9-15-21(20)27(4)22-16-10-12-18-19-13-11-17-23(29(5,6)7)25(19)28-24(18)22/h8-17H,1-7H3.
What are the key properties of N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine?
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine has a molecular weight of 417.69 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine is sourced from PubChem (CID 140873324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).