trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane

C20H19NSSi — CID 166018502

IUPACtrimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane
SMILESC[Si](C)(C)c1cccc2c1sc1cc(-c3ccccc3)ncc12
InChIInChI=1S/C20H19NSSi/c1-23(2,3)19-11-7-10-15-16-13-21-17(12-18(16)22-20(15)19)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyPUNMAOLDSIHIRT-UHFFFAOYSA-N
MW333.53 g/mol
LogP5.66
Rot. Bonds2

About trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane

trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane (PubChem CID 166018502) has the molecular formula C20H19NSSi and a molecular weight of 333.53 g/mol. Its IUPAC name is trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane.

Molecular Properties

Compound Nametrimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane
PubChem CID166018502
Molecular FormulaC20H19NSSi
Molecular Weight333.53 g/mol
Exact Mass333.10
IUPAC Nametrimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane
SMILESC[Si](C)(C)c1cccc2c1sc1cc(-c3ccccc3)ncc12
InChIInChI=1S/C20H19NSSi/c1-23(2,3)19-11-7-10-15-16-13-21-17(12-18(16)22-20(15)19)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyPUNMAOLDSIHIRT-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.53
LogP ≤ 55.66
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

trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-7-yl)silane
CID 166018634
(4,6-diphenyl-3-pyridinyl)-trimethylsilane
CID 140710428
dibenzothiophene;trimethyl-(6-methyldibenzothiophen-4-yl)silane
CID 159143305
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683
trimethyl-[6-[5-(trideuteriomethyl)-2-pyridinyl]dibenzothiophen-4-yl]silane
CID 155608293
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
(4-tert-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140710315
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
2,3-diphenyl-6-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 155626281
trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 140710280
trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480
dibenzothiophen-4-yl-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007138

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane?
The IUPAC name of trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane (CID 166018502) is trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane.
What is the SMILES notation for trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane?
The canonical SMILES for trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane is C[Si](C)(C)c1cccc2c1sc1cc(-c3ccccc3)ncc12.
What is the InChIKey of trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane?
The InChIKey is PUNMAOLDSIHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NSSi/c1-23(2,3)19-11-7-10-15-16-13-21-17(12-18(16)22-20(15)19)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane?
trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane has a molecular weight of 333.53 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-phenyl-[1]benzothiolo[3,2-c]pyridin-6-yl)silane is sourced from PubChem (CID 166018502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).