10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one

C18H11NO3S — CID 11493501

IUPAC10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(-c3cccnc3)ccc21
InChIInChI=1S/C18H11NO3S/c20-18-14-5-1-2-6-16(14)23(21,22)17-10-12(7-8-15(17)18)13-4-3-9-19-11-13/h1-11H
InChIKeyIEANRSKCKGURHE-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.13
Rot. Bonds1

About 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one

10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one (PubChem CID 11493501) has the molecular formula C18H11NO3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one.

Molecular Properties

Compound Name10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one
PubChem CID11493501
Molecular FormulaC18H11NO3S
Molecular Weight321.36 g/mol
Exact Mass321.05
IUPAC Name10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(-c3cccnc3)ccc21
InChIInChI=1S/C18H11NO3S/c20-18-14-5-1-2-6-16(14)23(21,22)17-10-12(7-8-15(17)18)13-4-3-9-19-11-13/h1-11H
InChIKeyIEANRSKCKGURHE-UHFFFAOYSA-N
XLogP3.13
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10,10-dioxothioxanthen-9-one;ethane
CID 142164564
11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 5,5-dioxide
CID 134573592
11'-(2,6-diphenylpyrimidin-4-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 5,5-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 5,5-dioxide;11'-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 5,5-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 5,5-dioxide
CID 159529983
30,30-dimethyl-4-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]-26λ6-thiaoctacyclo[25.11.0.02,7.08,13.014,19.020,25.029,37.031,36]octatriaconta-1(27),2(7),3,5,8,10,12,14,16,18,20,22,24,28,31,33,35,37-octadecaene 26,26-dioxide
CID 134572171
4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-26λ6-thiaheptacyclo[25.8.0.02,7.08,13.014,19.020,25.028,33]pentatriaconta-1(27),2(7),3,5,8,10,12,14,16,18,20,22,24,28,30,32,34-heptadecaene 26,26-dioxide
CID 134571939
5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
5-(4-phenylphenyl)-8λ6-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene 8,8-dioxide
CID 122485077
3-azulen-6-ylpyridine
CID 86232079
3-[5,11-diphenyl-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one
CID 155081222
5-pyridin-3-yl-1λ6,4-benzothiazepine 1,1-dioxide
CID 151608882

Frequently Asked Questions

What is the IUPAC name of 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one?
The IUPAC name of 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one (CID 11493501) is 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one.
What is the SMILES notation for 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one?
The canonical SMILES for 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one is O=C1c2ccccc2S(=O)(=O)c2cc(-c3cccnc3)ccc21.
What is the InChIKey of 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one?
The InChIKey is IEANRSKCKGURHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3S/c20-18-14-5-1-2-6-16(14)23(21,22)17-10-12(7-8-15(17)18)13-4-3-9-19-11-13/h1-11H.
What are the key properties of 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one?
10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one has a molecular weight of 321.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxo-3-pyridin-3-ylthioxanthen-9-one is sourced from PubChem (CID 11493501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).