2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile

C40H20F4N8 — CID 130356765

IUPAC2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile
SMILESN#CC(C#N)C1c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C(C(C#N)C#N)c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C40H20F4N8/c41-27-9-1-21(2-10-27)33-34(22-3-11-28(42)12-4-22)50-38-32(26(19-47)20-48)40-39(31(37(38)49-33)25(17-45)18-46)51-35(23-5-13-29(43)14-6-23)36(52-40)24-7-15-30(44)16-8-24/h1-16,25-26,31-32H
InChIKeyWGRBQCRPHGQXIU-UHFFFAOYSA-N
MW688.65 g/mol
LogP8.39
Rot. Bonds6

About 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile

2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile (PubChem CID 130356765) has the molecular formula C40H20F4N8 and a molecular weight of 688.65 g/mol. Its IUPAC name is 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile.

Molecular Properties

Compound Name2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile
PubChem CID130356765
Molecular FormulaC40H20F4N8
Molecular Weight688.65 g/mol
Exact Mass688.17
IUPAC Name2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile
SMILESN#CC(C#N)C1c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C(C(C#N)C#N)c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C40H20F4N8/c41-27-9-1-21(2-10-27)33-34(22-3-11-28(42)12-4-22)50-38-32(26(19-47)20-48)40-39(31(37(38)49-33)25(17-45)18-46)51-35(23-5-13-29(43)14-6-23)36(52-40)24-7-15-30(44)16-8-24/h1-16,25-26,31-32H
InChIKeyWGRBQCRPHGQXIU-UHFFFAOYSA-N
XLogP8.39
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.65
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2,4-Difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline
CID 58161744
5,8-Bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline
CID 58161746
2-[5-[Cyano(isocyano)methylidene]-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile
CID 58918518
2-[5-[Cyano(isocyano)methylidene]-2,3,7,8-tetrakis(4-fluorophenyl)pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile
CID 58918519
2-[5-[Cyano(isocyano)methylidene]-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile
CID 58918525
(2Z)-2-[(5E)-5-[cyano(isocyano)methylidene]-3,8-diphenyl-2,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile
CID 58918528
(2E)-2-[(5E)-5-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2,3,7-tris[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile
CID 58918538
6-[4-[4-[2,3-Bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline
CID 59340833
[(5E)-3-(2,4-difluorophenyl)-2,7,8-tris[4-fluoro-2-(trifluoromethyl)phenyl]-5-isocyanoiminopyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 59408402
[2,3,7,8-Tetrakis(4-fluorophenyl)-5-isocyanoiminopyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 59408403
[5-Isocyanoimino-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 59408404
[(5E)-5-isocyanoimino-3,8-diphenyl-2,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 59408415

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile?
The IUPAC name of 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile (CID 130356765) is 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile.
What is the SMILES notation for 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile?
The canonical SMILES for 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile is N#CC(C#N)C1c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C(C(C#N)C#N)c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21.
What is the InChIKey of 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile?
The InChIKey is WGRBQCRPHGQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20F4N8/c41-27-9-1-21(2-10-27)33-34(22-3-11-28(42)12-4-22)50-38-32(26(19-47)20-48)40-39(31(37(38)49-33)25(17-45)18-46)51-35(23-5-13-29(43)14-6-23)36(52-40)24-7-15-30(44)16-8-24/h1-16,25-26,31-32H.
What are the key properties of 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile?
2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile has a molecular weight of 688.65 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dicyanomethyl)-2,3,7,8-tetrakis(4-fluorophenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]propanedinitrile is sourced from PubChem (CID 130356765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).