2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline

C36H22N2S — CID 164956800

IUPAC2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
SMILESc1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5sc6ccccc6c5c4)cc3)ccc2c1
InChIInChI=1S/C36H22N2S/c1-2-8-26-21-27(18-15-23(26)7-1)24-13-16-25(17-14-24)35-36(38-32-11-5-4-10-31(32)37-35)28-19-20-34-30(22-28)29-9-3-6-12-33(29)39-34/h1-22H
InChIKeyDQUJYMBDCAGGCE-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.15
Rot. Bonds3

About 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline

2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline (PubChem CID 164956800) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
PubChem CID164956800
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
SMILESc1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5sc6ccccc6c5c4)cc3)ccc2c1
InChIInChI=1S/C36H22N2S/c1-2-8-26-21-27(18-15-23(26)7-1)24-13-16-25(17-14-24)35-36(38-32-11-5-4-10-31(32)37-35)28-19-20-34-30(22-28)29-9-3-6-12-33(29)39-34/h1-22H
InChIKeyDQUJYMBDCAGGCE-UHFFFAOYSA-N
XLogP10.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 171585223
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171585034
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545497
2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
CID 58971382
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317
7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline
CID 165020673
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
6-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427429
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline?
The IUPAC name of 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline (CID 164956800) is 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline?
The canonical SMILES for 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline is c1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5sc6ccccc6c5c4)cc3)ccc2c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline?
The InChIKey is DQUJYMBDCAGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-2-8-26-21-27(18-15-23(26)7-1)24-13-16-25(17-14-24)35-36(38-32-11-5-4-10-31(32)37-35)28-19-20-34-30(22-28)29-9-3-6-12-33(29)39-34/h1-22H.
What are the key properties of 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline?
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline has a molecular weight of 514.65 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline is sourced from PubChem (CID 164956800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).