6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline

C38H24N2S — CID 165098690

IUPAC6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C38H24N2S/c1-3-10-27(11-4-1)36-37(28-12-5-2-6-13-28)40-34-24-29(22-23-33(34)39-36)25-18-20-26(21-19-25)30-15-9-16-32-31-14-7-8-17-35(31)41-38(30)32/h1-24H
InChIKeyPYHSKAQPPQOEFT-UHFFFAOYSA-N
MW540.69 g/mol
LogP10.67
Rot. Bonds4

About 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline

6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline (PubChem CID 165098690) has the molecular formula C38H24N2S and a molecular weight of 540.69 g/mol. Its IUPAC name is 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
PubChem CID165098690
Molecular FormulaC38H24N2S
Molecular Weight540.69 g/mol
Exact Mass540.17
IUPAC Name6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C38H24N2S/c1-3-10-27(11-4-1)36-37(28-12-5-2-6-13-28)40-34-24-29(22-23-33(34)39-36)25-18-20-26(21-19-25)30-15-9-16-32-31-14-7-8-17-35(31)41-38(30)32/h1-24H
InChIKeyPYHSKAQPPQOEFT-UHFFFAOYSA-N
XLogP10.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.69
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline 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-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
3-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549899
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
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
12-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-i]phenanthridine
CID 129123000
14-(4-dibenzothiophen-4-ylphenyl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122879
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 153301922

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline?
The IUPAC name of 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline (CID 165098690) is 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline.
What is the SMILES notation for 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline?
The canonical SMILES for 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline is c1ccc(-c2nc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline?
The InChIKey is PYHSKAQPPQOEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S/c1-3-10-27(11-4-1)36-37(28-12-5-2-6-13-28)40-34-24-29(22-23-33(34)39-36)25-18-20-26(21-19-25)30-15-9-16-32-31-14-7-8-17-35(31)41-38(30)32/h1-24H.
What are the key properties of 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline?
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline has a molecular weight of 540.69 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 165098690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).