5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline

C32H20N2S — CID 147004668

IUPAC5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3cccc(-c4cccc5c4sc4ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C32H20N2S/c1-3-11-21(12-4-1)29-30(22-13-5-2-6-14-22)34-31-24(16-10-19-27(31)33-29)26-18-9-17-25-23-15-7-8-20-28(23)35-32(25)26/h1-20H
InChIKeyASRZTDHFFHSBKG-UHFFFAOYSA-N
MW464.59 g/mol
LogP9.00
Rot. Bonds3

About 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline

5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline (PubChem CID 147004668) has the molecular formula C32H20N2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
PubChem CID147004668
Molecular FormulaC32H20N2S
Molecular Weight464.59 g/mol
Exact Mass464.13
IUPAC Name5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3cccc(-c4cccc5c4sc4ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C32H20N2S/c1-3-11-21(12-4-1)29-30(22-13-5-2-6-14-22)34-31-24(16-10-19-27(31)33-29)26-18-9-17-25-23-15-7-8-20-28(23)35-32(25)26/h1-20H
InChIKeyASRZTDHFFHSBKG-UHFFFAOYSA-N
XLogP9.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
CID 164998499
5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline
CID 174343268
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
4,7-di(dibenzothiophen-4-yl)-2-phenyl-1,3-benzothiazole
CID 121425689
12-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-i]phenanthridine
CID 129123000
9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole
CID 154952634
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
2-(3-naphtho[1,2-b][1]benzothiol-2-ylphenyl)-3-phenylbenzo[f]quinoxaline
CID 155769880
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline?
The IUPAC name of 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline (CID 147004668) is 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline.
What is the SMILES notation for 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline?
The canonical SMILES for 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline is c1ccc(-c2nc3cccc(-c4cccc5c4sc4ccccc45)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline?
The InChIKey is ASRZTDHFFHSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S/c1-3-11-21(12-4-1)29-30(22-13-5-2-6-14-22)34-31-24(16-10-19-27(31)33-29)26-18-9-17-25-23-15-7-8-20-28(23)35-32(25)26/h1-20H.
What are the key properties of 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline?
5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline has a molecular weight of 464.59 g/mol, XLogP of 9.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline is sourced from PubChem (CID 147004668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).