6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine

C40H22N2S3 — CID 146600343

IUPAC6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2cnc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C40H22N2S3/c1-3-19-34-26(11-1)28-14-6-13-25(37(28)43-34)23-9-5-10-24(21-23)33-22-41-40-36(42-33)32-18-8-17-31(39(32)45-40)30-16-7-15-29-27-12-2-4-20-35(27)44-38(29)30/h1-22H
InChIKeyJSGHEVFAVGSPRY-UHFFFAOYSA-N
MW626.83 g/mol
LogP12.58
Rot. Bonds3

About 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine

6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 146600343) has the molecular formula C40H22N2S3 and a molecular weight of 626.83 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
PubChem CID146600343
Molecular FormulaC40H22N2S3
Molecular Weight626.83 g/mol
Exact Mass626.09
IUPAC Name6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2cnc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C40H22N2S3/c1-3-19-34-26(11-1)28-14-6-13-25(37(28)43-34)23-9-5-10-24(21-23)33-22-41-40-36(42-33)32-18-8-17-31(39(32)45-40)30-16-7-15-29-27-12-2-4-20-35(27)44-38(29)30/h1-22H
InChIKeyJSGHEVFAVGSPRY-UHFFFAOYSA-N
XLogP12.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.83
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine 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

9-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600250
2-(3-dibenzothiophen-4-ylphenyl)-8-(3-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2-(3-dibenzothiophen-4-ylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 157363541
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;prop-1-ene
CID 144724779
8-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600326
21-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-23-thia-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337392
3-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 129063187
2-dibenzothiophen-4-yl-9-[3-(9-dibenzothiophen-4-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050285
2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline
CID 90049990
2,8-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]pyrazine
CID 146600430
2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146600253
13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 155396498
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[9,9-dimethyl-7-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158509894

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine (CID 146600343) is 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine is c1cc(-c2cnc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is JSGHEVFAVGSPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2S3/c1-3-19-34-26(11-1)28-14-6-13-25(37(28)43-34)23-9-5-10-24(21-23)33-22-41-40-36(42-33)32-18-8-17-31(39(32)45-40)30-16-7-15-29-27-12-2-4-20-35(27)44-38(29)30/h1-22H.
What are the key properties of 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine?
6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 626.83 g/mol, XLogP of 12.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 146600343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).