6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline

C52H31N3OS — CID 129086032

IUPAC6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4nc5ccccc5c5c4oc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H31N3OS/c1-2-13-33(14-3-1)52-54-44-21-8-9-22-45(44)55(52)37-27-25-32(26-28-37)34-29-35(38-18-12-19-40-39-15-6-11-24-47(39)57-51(38)40)31-36(30-34)49-50-48(41-16-4-7-20-43(41)53-49)42-17-5-10-23-46(42)56-50/h1-31H
InChIKeyPZZCYBQWBZBOPH-UHFFFAOYSA-N
MW745.91 g/mol
LogP14.51
Rot. Bonds5

About 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline

6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 129086032) has the molecular formula C52H31N3OS and a molecular weight of 745.91 g/mol. Its IUPAC name is 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID129086032
Molecular FormulaC52H31N3OS
Molecular Weight745.91 g/mol
Exact Mass745.22
IUPAC Name6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4nc5ccccc5c5c4oc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H31N3OS/c1-2-13-33(14-3-1)52-54-44-21-8-9-22-45(44)55(52)37-27-25-32(26-28-37)34-29-35(38-18-12-19-40-39-15-6-11-24-47(39)57-51(38)40)31-36(30-34)49-50-48(41-16-4-7-20-43(41)53-49)42-17-5-10-23-46(42)56-50/h1-31H
InChIKeyPZZCYBQWBZBOPH-UHFFFAOYSA-N
XLogP14.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline 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-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 129086032) is 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4nc5ccccc5c5c4oc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is PZZCYBQWBZBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS/c1-2-13-33(14-3-1)52-54-44-21-8-9-22-45(44)55(52)37-27-25-32(26-28-37)34-29-35(38-18-12-19-40-39-15-6-11-24-47(39)57-51(38)40)31-36(30-34)49-50-48(41-16-4-7-20-43(41)53-49)42-17-5-10-23-46(42)56-50/h1-31H.
What are the key properties of 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 745.91 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-dibenzothiophen-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 129086032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).