8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine

C40H23N3OS — CID 122677200

IUPAC8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine
SMILESc1cc(-c2cccc3c2oc2nc(-n4c5ccccc5c5cccnc54)ccc23)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C40H23N3OS/c1-3-18-34-28(11-1)32-17-8-22-41-39(32)43(34)36-21-20-33-30-15-6-13-26(37(30)44-40(33)42-36)24-9-5-10-25(23-24)27-14-7-16-31-29-12-2-4-19-35(29)45-38(27)31/h1-23H
InChIKeyVETXNCWAWHEDEM-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.18
Rot. Bonds3

About 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine

8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 122677200) has the molecular formula C40H23N3OS and a molecular weight of 593.71 g/mol. Its IUPAC name is 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID122677200
Molecular FormulaC40H23N3OS
Molecular Weight593.71 g/mol
Exact Mass593.16
IUPAC Name8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine
SMILESc1cc(-c2cccc3c2oc2nc(-n4c5ccccc5c5cccnc54)ccc23)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C40H23N3OS/c1-3-18-34-28(11-1)32-17-8-22-41-39(32)43(34)36-21-20-33-30-15-6-13-26(37(30)44-40(33)42-36)24-9-5-10-25(23-24)27-14-7-16-31-29-12-2-4-19-35(29)45-38(27)31/h1-23H
InChIKeyVETXNCWAWHEDEM-UHFFFAOYSA-N
XLogP11.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[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 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine (CID 122677200) is 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine is c1cc(-c2cccc3c2oc2nc(-n4c5ccccc5c5cccnc54)ccc23)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is VETXNCWAWHEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3OS/c1-3-18-34-28(11-1)32-17-8-22-41-39(32)43(34)36-21-20-33-30-15-6-13-26(37(30)44-40(33)42-36)24-9-5-10-25(23-24)27-14-7-16-31-29-12-2-4-19-35(29)45-38(27)31/h1-23H.
What are the key properties of 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine?
8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 593.71 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzothiophen-4-ylphenyl)-2-pyrido[2,3-b]indol-9-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 122677200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).