5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline

C42H24N2S — CID 174343268

IUPAC5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline
SMILESc1ccc2cc(-c3nc4c(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cccc4nc3-c3ccccc3)ccc2c#1
InChIInChI=1S/C42H24N2S/c1-2-11-30(12-3-1)39-40(32-25-20-27-10-4-5-13-31(27)26-32)44-41-33(15-9-18-37(41)43-39)28-21-23-29(24-22-28)34-16-8-17-36-35-14-6-7-19-38(35)45-42(34)36/h1-3,5-9,11-26H
InChIKeySAYPYDWMAAZTEU-UHFFFAOYSA-N
MW588.74 g/mol
LogP11.42
Rot. Bonds4

About 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline

5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline (PubChem CID 174343268) has the molecular formula C42H24N2S and a molecular weight of 588.74 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline.

Molecular Properties

Compound Name5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline
PubChem CID174343268
Molecular FormulaC42H24N2S
Molecular Weight588.74 g/mol
Exact Mass588.17
IUPAC Name5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline
SMILESc1ccc2cc(-c3nc4c(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cccc4nc3-c3ccccc3)ccc2c#1
InChIInChI=1S/C42H24N2S/c1-2-11-30(12-3-1)39-40(32-25-20-27-10-4-5-13-31(27)26-32)44-41-33(15-9-18-37(41)43-39)28-21-23-29(24-22-28)34-16-8-17-36-35-14-6-7-19-38(35)45-42(34)36/h1-3,5-9,11-26H
InChIKeySAYPYDWMAAZTEU-UHFFFAOYSA-N
XLogP11.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.74
LogP ≤ 511.42
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-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
CID 147004668
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole
CID 154952634
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
2-(3-naphtho[1,2-b][1]benzothiol-2-ylphenyl)-3-phenylbenzo[f]quinoxaline
CID 155769880
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
CID 164998499
4-[4-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163817234

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline?
The IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline (CID 174343268) is 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline.
What is the SMILES notation for 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline?
The canonical SMILES for 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline is c1ccc2cc(-c3nc4c(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cccc4nc3-c3ccccc3)ccc2c#1.
What is the InChIKey of 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline?
The InChIKey is SAYPYDWMAAZTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2S/c1-2-11-30(12-3-1)39-40(32-25-20-27-10-4-5-13-31(27)26-32)44-41-33(15-9-18-37(41)43-39)28-21-23-29(24-22-28)34-16-8-17-36-35-14-6-7-19-38(35)45-42(34)36/h1-3,5-9,11-26H.
What are the key properties of 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline?
5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline has a molecular weight of 588.74 g/mol, XLogP of 11.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-4-ylphenyl)-3-(5,6-didehydronaphthalen-2-yl)-2-phenylquinoxaline is sourced from PubChem (CID 174343268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).