4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine

C34H19N3OS — CID 130191523

IUPAC4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1cc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)cnc12
InChIInChI=1S/C34H19N3OS/c1-4-10-27-23(7-1)24-8-2-5-11-28(24)37(27)21-13-14-29-26(18-21)33-34(38-29)22(15-16-35-33)20-17-31-32(36-19-20)25-9-3-6-12-30(25)39-31/h1-19H
InChIKeyMYYKJRXSRSZLCP-UHFFFAOYSA-N
MW517.61 g/mol
LogP9.51
Rot. Bonds2

About 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine

4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191523) has the molecular formula C34H19N3OS and a molecular weight of 517.61 g/mol. Its IUPAC name is 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID130191523
Molecular FormulaC34H19N3OS
Molecular Weight517.61 g/mol
Exact Mass517.12
IUPAC Name4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1cc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)cnc12
InChIInChI=1S/C34H19N3OS/c1-4-10-27-23(7-1)24-8-2-5-11-28(24)37(27)21-13-14-29-26(18-21)33-34(38-29)22(15-16-35-33)20-17-31-32(36-19-20)25-9-3-6-12-30(25)39-31/h1-19H
InChIKeyMYYKJRXSRSZLCP-UHFFFAOYSA-N
XLogP9.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-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 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine (CID 130191523) is 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)sc1cc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)cnc12.
What is the InChIKey of 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is MYYKJRXSRSZLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3OS/c1-4-10-27-23(7-1)24-8-2-5-11-28(24)37(27)21-13-14-29-26(18-21)33-34(38-29)22(15-16-35-33)20-17-31-32(36-19-20)25-9-3-6-12-30(25)39-31/h1-19H.
What are the key properties of 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine?
4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 517.61 g/mol, XLogP of 9.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).