4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine

C34H18N2OS2 — CID 153311764

IUPAC4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5ccc(-c6ccnc7c6sc6ccccc67)cc5c4c3)ccnc12
InChIInChI=1S/C34H18N2OS2/c1-3-7-29-23(5-1)31-33(38-29)21(13-15-35-31)19-9-11-27-25(17-19)26-18-20(10-12-28(26)37-27)22-14-16-36-32-24-6-2-4-8-30(24)39-34(22)32/h1-18H
InChIKeyZLYJZMJVJRGACB-UHFFFAOYSA-N
MW534.67 g/mol
LogP10.45
Rot. Bonds2

About 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine

4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 153311764) has the molecular formula C34H18N2OS2 and a molecular weight of 534.67 g/mol. Its IUPAC name is 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID153311764
Molecular FormulaC34H18N2OS2
Molecular Weight534.67 g/mol
Exact Mass534.09
IUPAC Name4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5ccc(-c6ccnc7c6sc6ccccc67)cc5c4c3)ccnc12
InChIInChI=1S/C34H18N2OS2/c1-3-7-29-23(5-1)31-33(38-29)21(13-15-35-31)19-9-11-27-25(17-19)26-18-20(10-12-28(26)37-27)22-14-16-36-32-24-6-2-4-8-30(24)39-34(22)32/h1-18H
InChIKeyZLYJZMJVJRGACB-UHFFFAOYSA-N
XLogP10.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.67
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102583652
[6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]methanone
CID 177656970
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CID 58207626
3-[3-[4-[2-[5-[[Acetyl(propyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropyl]benzamide
CID 58207651
3-[3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]-N-methylbenzamide
CID 58207667
3-[3-[3-Fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide
CID 58207711
3-[3-[4-[2-[5-[[acetyl(propyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropyl]-N,N-dimethylbenzamide
CID 58207793
Methyl 3-[3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzoate
CID 58207801
1-(2,4-Difluorophenyl)-3-[3-fluoro-4-[2-[4-(pyrrolidine-1-carbonyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474298
5-[3-Fluoro-4-[2-(5-hexyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-4-sulfanylidenepentan-2-one
CID 58474605
3-[3-[3-Fluoro-4-[2-[5-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide
CID 58474817
3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014

Frequently Asked Questions

What is the IUPAC name of 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine (CID 153311764) is 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine is c1ccc2c(c1)sc1c(-c3ccc4oc5ccc(-c6ccnc7c6sc6ccccc67)cc5c4c3)ccnc12.
What is the InChIKey of 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is ZLYJZMJVJRGACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2OS2/c1-3-7-29-23(5-1)31-33(38-29)21(13-15-35-31)19-9-11-27-25(17-19)26-18-20(10-12-28(26)37-27)22-14-16-36-32-24-6-2-4-8-30(24)39-34(22)32/h1-18H.
What are the key properties of 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine?
4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 534.67 g/mol, XLogP of 10.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-([1]benzothiolo[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 153311764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).