6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine

C57H31N3OS3 — CID 90250493

IUPAC6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESc1cc(-c2cc(-c3ccc4oc5ccc(-c6ccc7sc8ncccc8c7c6)cc5c4c3)cc(-c3ccc4sc5ncccc5c4c3)c2)cc(-c2ccc3sc4ncccc4c3c2)c1
InChIInChI=1S/C57H31N3OS3/c1-5-32(35-12-17-52-47(29-35)42-7-2-20-58-55(42)62-52)23-33(6-1)39-24-40(26-41(25-39)38-14-19-54-49(31-38)44-9-4-22-60-57(44)64-54)37-11-16-51-46(28-37)45-27-34(10-15-50(45)61-51)36-13-18-53-48(30-36)43-8-3-21-59-56(43)63-53/h1-31H
InChIKeyWZRMEUGROJURGY-UHFFFAOYSA-N
MW870.10 g/mol
LogP17.21
Rot. Bonds5

About 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine

6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 90250493) has the molecular formula C57H31N3OS3 and a molecular weight of 870.10 g/mol. Its IUPAC name is 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
PubChem CID90250493
Molecular FormulaC57H31N3OS3
Molecular Weight870.10 g/mol
Exact Mass869.16
IUPAC Name6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESc1cc(-c2cc(-c3ccc4oc5ccc(-c6ccc7sc8ncccc8c7c6)cc5c4c3)cc(-c3ccc4sc5ncccc5c4c3)c2)cc(-c2ccc3sc4ncccc4c3c2)c1
InChIInChI=1S/C57H31N3OS3/c1-5-32(35-12-17-52-47(29-35)42-7-2-20-58-55(42)62-52)23-33(6-1)39-24-40(26-41(25-39)38-14-19-54-49(31-38)44-9-4-22-60-57(44)64-54)37-11-16-51-46(28-37)45-27-34(10-15-50(45)61-51)36-13-18-53-48(30-36)43-8-3-21-59-56(43)63-53/h1-31H
InChIKeyWZRMEUGROJURGY-UHFFFAOYSA-N
XLogP17.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.10
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine (CID 90250493) is 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine is c1cc(-c2cc(-c3ccc4oc5ccc(-c6ccc7sc8ncccc8c7c6)cc5c4c3)cc(-c3ccc4sc5ncccc5c4c3)c2)cc(-c2ccc3sc4ncccc4c3c2)c1.
What is the InChIKey of 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is WZRMEUGROJURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31N3OS3/c1-5-32(35-12-17-52-47(29-35)42-7-2-20-58-55(42)62-52)23-33(6-1)39-24-40(26-41(25-39)38-14-19-54-49(31-38)44-9-4-22-60-57(44)64-54)37-11-16-51-46(28-37)45-27-34(10-15-50(45)61-51)36-13-18-53-48(30-36)43-8-3-21-59-56(43)63-53/h1-31H.
What are the key properties of 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 870.10 g/mol, XLogP of 17.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-([1]benzothiolo[2,3-b]pyridin-6-yl)-5-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 90250493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).