3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline

C25H16N2S — CID 159945206

IUPAC3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
SMILESCc1nc2cc3ccccc3cc2nc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C25H16N2S/c1-15-24(27-22-14-17-8-3-2-7-16(17)13-21(22)26-15)20-11-6-10-19-18-9-4-5-12-23(18)28-25(19)20/h2-14H,1H3
InChIKeyOCQXRFUPJPUGEW-UHFFFAOYSA-N
MW376.48 g/mol
LogP7.13
Rot. Bonds1

About 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline

3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline (PubChem CID 159945206) has the molecular formula C25H16N2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
PubChem CID159945206
Molecular FormulaC25H16N2S
Molecular Weight376.48 g/mol
Exact Mass376.10
IUPAC Name3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
SMILESCc1nc2cc3ccccc3cc2nc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C25H16N2S/c1-15-24(27-22-14-17-8-3-2-7-16(17)13-21(22)26-15)20-11-6-10-19-18-9-4-5-12-23(18)28-25(19)20/h2-14H,1H3
InChIKeyOCQXRFUPJPUGEW-UHFFFAOYSA-N
XLogP7.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
CID 147004668
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
CID 145180261
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline?
The IUPAC name of 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline (CID 159945206) is 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline.
What is the SMILES notation for 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline?
The canonical SMILES for 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline is Cc1nc2cc3ccccc3cc2nc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline?
The InChIKey is OCQXRFUPJPUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2S/c1-15-24(27-22-14-17-8-3-2-7-16(17)13-21(22)26-15)20-11-6-10-19-18-9-4-5-12-23(18)28-25(19)20/h2-14H,1H3.
What are the key properties of 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline?
3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline has a molecular weight of 376.48 g/mol, XLogP of 7.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline is sourced from PubChem (CID 159945206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).