2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline

C36H26N2S2 — CID 139835702

IUPAC2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
SMILESC(=C(Sc1ccccc1)c1ccccc1)c1nc2ccccc2nc1C=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C36H26N2S2/c1-5-15-27(16-6-1)35(39-29-19-9-3-10-20-29)25-33-34(38-32-24-14-13-23-31(32)37-33)26-36(28-17-7-2-8-18-28)40-30-21-11-4-12-22-30/h1-26H
InChIKeyYZAJRUJKZAGTTK-UHFFFAOYSA-N
MW550.75 g/mol
LogP10.21
Rot. Bonds8

About 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline

2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline (PubChem CID 139835702) has the molecular formula C36H26N2S2 and a molecular weight of 550.75 g/mol. Its IUPAC name is 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
PubChem CID139835702
Molecular FormulaC36H26N2S2
Molecular Weight550.75 g/mol
Exact Mass550.15
IUPAC Name2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
SMILESC(=C(Sc1ccccc1)c1ccccc1)c1nc2ccccc2nc1C=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C36H26N2S2/c1-5-15-27(16-6-1)35(39-29-19-9-3-10-20-29)25-33-34(38-32-24-14-13-23-31(32)37-33)26-36(28-17-7-2-8-18-28)40-30-21-11-4-12-22-30/h1-26H
InChIKeyYZAJRUJKZAGTTK-UHFFFAOYSA-N
XLogP10.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine
CID 100914243
5-nitro-6-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-4-amine
CID 102321981
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
phenyl N,3-diphenyl-3-phenylsulfanylprop-2-enimidothioate
CID 67545329
1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 139262827
[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
CID 102417247
[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
CID 101356614
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol
CID 177416740

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline?
The IUPAC name of 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline (CID 139835702) is 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline?
The canonical SMILES for 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline is C(=C(Sc1ccccc1)c1ccccc1)c1nc2ccccc2nc1C=C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline?
The InChIKey is YZAJRUJKZAGTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2S2/c1-5-15-27(16-6-1)35(39-29-19-9-3-10-20-29)25-33-34(38-32-24-14-13-23-31(32)37-33)26-36(28-17-7-2-8-18-28)40-30-21-11-4-12-22-30/h1-26H.
What are the key properties of 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline?
2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline has a molecular weight of 550.75 g/mol, XLogP of 10.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline is sourced from PubChem (CID 139835702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).