[5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane

C27H24F3GeNOS — CID 168743726

IUPAC[5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane
SMILESCc1cc(C)cc(-c2nccc3c2sc2c(C(F)(F)F)c(-c4cc([Ge](C)(C)C)co4)ccc23)c1
InChIInChI=1S/C27H24F3GeNOS/c1-15-10-16(2)12-17(11-15)24-26-20(8-9-32-24)19-6-7-21(23(25(19)34-26)27(28,29)30)22-13-18(14-33-22)31(3,4)5/h6-14H,1-5H3
InChIKeySTGVWNWNQJTEKP-UHFFFAOYSA-N
MW540.17 g/mol
LogP8.56
Rot. Bonds3

About [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane

[5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane (PubChem CID 168743726) has the molecular formula C27H24F3GeNOS and a molecular weight of 540.17 g/mol. Its IUPAC name is [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane.

Molecular Properties

Compound Name[5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane
PubChem CID168743726
Molecular FormulaC27H24F3GeNOS
Molecular Weight540.17 g/mol
Exact Mass541.07
IUPAC Name[5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane
SMILESCc1cc(C)cc(-c2nccc3c2sc2c(C(F)(F)F)c(-c4cc([Ge](C)(C)C)co4)ccc23)c1
InChIInChI=1S/C27H24F3GeNOS/c1-15-10-16(2)12-17(11-15)24-26-20(8-9-32-24)19-6-7-21(23(25(19)34-26)27(28,29)30)22-13-18(14-33-22)31(3,4)5/h6-14H,1-5H3
InChIKeySTGVWNWNQJTEKP-UHFFFAOYSA-N
XLogP8.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.17
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
2-[3-(Trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine
CID 132608407
Ethyl 3-[2-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]-1-benzothiophen-7-yl]benzoate
CID 67185003
Ethyl 3-[2-([[4-(trifluoromethyl)pyridin-2-yl]oxy]methyl)-1-benzothiophen-7-yl]benzoate
CID 67186232
Ethyl 2-(2-[[3-(trifluoromethyl)phenoxy]methyl]-1-benzothiophen-7-yl)pyridine-4-carboxylate
CID 67187853
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
5-Fluoro-2-[(2-octyl-1-benzofuran-5-yl)methyl]-4-pyridin-3-yl-1,3-thiazole
CID 158961556
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-1-(2,7,9-trimethyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500341
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine
CID 162500351
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 162500373

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane?
The IUPAC name of [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane (CID 168743726) is [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane.
What is the SMILES notation for [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane?
The canonical SMILES for [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane is Cc1cc(C)cc(-c2nccc3c2sc2c(C(F)(F)F)c(-c4cc([Ge](C)(C)C)co4)ccc23)c1.
What is the InChIKey of [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane?
The InChIKey is STGVWNWNQJTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3GeNOS/c1-15-10-16(2)12-17(11-15)24-26-20(8-9-32-24)19-6-7-21(23(25(19)34-26)27(28,29)30)22-13-18(14-33-22)31(3,4)5/h6-14H,1-5H3.
What are the key properties of [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane?
[5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane has a molecular weight of 540.17 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3,5-dimethylphenyl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-7-yl]furan-3-yl]-trimethylgermane is sourced from PubChem (CID 168743726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).