2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline

C28H16N4S — CID 634917

IUPAC2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
SMILESc1ccc2nc(-c3ccc4sc5ccc(-c6cnc7ccccc7n6)cc5c4c3)cnc2c1
InChIInChI=1S/C28H16N4S/c1-3-7-23-21(5-1)29-15-25(31-23)17-9-11-27-19(13-17)20-14-18(10-12-28(20)33-27)26-16-30-22-6-2-4-8-24(22)32-26/h1-16H
InChIKeyBTXYYRYMDXOOHX-UHFFFAOYSA-N
MW440.53 g/mol
LogP7.27
Rot. Bonds2

About 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline

2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline (PubChem CID 634917) has the molecular formula C28H16N4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
PubChem CID634917
Molecular FormulaC28H16N4S
Molecular Weight440.53 g/mol
Exact Mass440.11
IUPAC Name2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
SMILESc1ccc2nc(-c3ccc4sc5ccc(-c6cnc7ccccc7n6)cc5c4c3)cnc2c1
InChIInChI=1S/C28H16N4S/c1-3-7-23-21(5-1)29-15-25(31-23)17-9-11-27-19(13-17)20-14-18(10-12-28(20)33-27)26-16-30-22-6-2-4-8-24(22)32-26/h1-16H
InChIKeyBTXYYRYMDXOOHX-UHFFFAOYSA-N
XLogP7.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline 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

3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 58410043
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
CID 88913467
CID 88913467
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-quinazolin-6-ylquinoxaline
CID 135299830
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248
3-(3-dibenzothiophen-2-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410093
2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one
CID 135873412
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine
CID 168746424
3-(4-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410089

Frequently Asked Questions

What is the IUPAC name of 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline?
The IUPAC name of 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline (CID 634917) is 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline.
What is the SMILES notation for 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline?
The canonical SMILES for 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline is c1ccc2nc(-c3ccc4sc5ccc(-c6cnc7ccccc7n6)cc5c4c3)cnc2c1.
What is the InChIKey of 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline?
The InChIKey is BTXYYRYMDXOOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N4S/c1-3-7-23-21(5-1)29-15-25(31-23)17-9-11-27-19(13-17)20-14-18(10-12-28(20)33-27)26-16-30-22-6-2-4-8-24(22)32-26/h1-16H.
What are the key properties of 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline?
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline has a molecular weight of 440.53 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline is sourced from PubChem (CID 634917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).