3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline

C33H19NS2 — CID 129134273

IUPAC3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESc1cc(-c2ccc3c(c2)ncc2c4ccccc4sc32)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C33H19NS2/c1-3-13-30-24(9-1)26-12-6-11-23(32(26)35-30)22-8-5-7-20(17-22)21-15-16-27-29(18-21)34-19-28-25-10-2-4-14-31(25)36-33(27)28/h1-19H
InChIKeyIPQGWUBEUNIILE-UHFFFAOYSA-N
MW493.66 g/mol
LogP10.30
Rot. Bonds2

About 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline

3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline (PubChem CID 129134273) has the molecular formula C33H19NS2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
PubChem CID129134273
Molecular FormulaC33H19NS2
Molecular Weight493.66 g/mol
Exact Mass493.10
IUPAC Name3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline
SMILESc1cc(-c2ccc3c(c2)ncc2c4ccccc4sc32)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C33H19NS2/c1-3-13-30-24(9-1)26-12-6-11-23(32(26)35-30)22-8-5-7-20(17-22)21-15-16-27-29(18-21)34-19-28-25-10-2-4-14-31(25)36-33(27)28/h1-19H
InChIKeyIPQGWUBEUNIILE-UHFFFAOYSA-N
XLogP10.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-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

Related Compounds

4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
3-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158165735
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115829
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
2,8-bis(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 134273557
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
3-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159383757

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline (CID 129134273) is 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline is c1cc(-c2ccc3c(c2)ncc2c4ccccc4sc32)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is IPQGWUBEUNIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NS2/c1-3-13-30-24(9-1)26-12-6-11-23(32(26)35-30)22-8-5-7-20(17-22)21-15-16-27-29(18-21)34-19-28-25-10-2-4-14-31(25)36-33(27)28/h1-19H.
What are the key properties of 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline?
3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 493.66 g/mol, XLogP of 10.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 129134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).