2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile

C30H10F6N8 — CID 89240894

IUPAC2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2nc(-c3ccccc3)c(C(F)(F)F)nc2c(=C(C#N)C#N)c2nc(C(F)(F)F)c(-c3ccccc3)nc12
InChIInChI=1S/C30H10F6N8/c31-29(32,33)27-21(15-7-3-1-4-8-15)41-23-19(17(11-37)12-38)24-26(20(25(23)43-27)18(13-39)14-40)44-28(30(34,35)36)22(42-24)16-9-5-2-6-10-16/h1-10H
InChIKeyPVWKJSHVCRYVEX-UHFFFAOYSA-N
MW596.45 g/mol
LogP5.34
Rot. Bonds2

About 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile

2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile (PubChem CID 89240894) has the molecular formula C30H10F6N8 and a molecular weight of 596.45 g/mol. Its IUPAC name is 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile
PubChem CID89240894
Molecular FormulaC30H10F6N8
Molecular Weight596.45 g/mol
Exact Mass596.09
IUPAC Name2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2nc(-c3ccccc3)c(C(F)(F)F)nc2c(=C(C#N)C#N)c2nc(C(F)(F)F)c(-c3ccccc3)nc12
InChIInChI=1S/C30H10F6N8/c31-29(32,33)27-21(15-7-3-1-4-8-15)41-23-19(17(11-37)12-38)24-26(20(25(23)43-27)18(13-39)14-40)44-28(30(34,35)36)22(42-24)16-9-5-2-6-10-16/h1-10H
InChIKeyPVWKJSHVCRYVEX-UHFFFAOYSA-N
XLogP5.34
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(5E)-5-[cyano(isocyano)methylidene]-3,8-diphenyl-2,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile;2-[5-[cyano(isocyano)methylidene]-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile;2-[5-[cyano(isocyano)methylidene]-2,3,7,8-tetrakis(4-fluorophenyl)pyrazino[2,3-g]quinoxalin-10-ylidene]-2-isocyanoacetonitrile;2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxaline-5,10-dione;3,8-diphenyl-2,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxaline-5,10-dione;2,3,7,8-tetrakis(4-fluorophenyl)pyrazino[2,3-g]quinoxaline-5,10-dione
CID 159673421
2-[5-(dicyanomethylidene)-2,8-bis(4-fluorophenyl)-3,7-bis(4-iodophenyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile
CID 170363689
2-[5-(dicyanomethylidene)-2,3,7,8-tetrakis(4-fluorophenyl)benzo[g]quinoxalin-10-ylidene]propanedinitrile
CID 170298397
2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 46314749
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
5-chloro-2,4-diphenyl-6-(trifluoromethyl)pyrimidine
CID 135006305
2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile
CID 102492464
2-[26-(dicyanomethylidene)-9,23-difluoro-2,16-diphenyl-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]propanedinitrile
CID 87431317
5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133096218
5,8-diethynyl-2,3-diphenylquinoxaline
CID 5237239
2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097394
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile?
The IUPAC name of 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile (CID 89240894) is 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile.
What is the SMILES notation for 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile?
The canonical SMILES for 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile is N#CC(C#N)=c1c2nc(-c3ccccc3)c(C(F)(F)F)nc2c(=C(C#N)C#N)c2nc(C(F)(F)F)c(-c3ccccc3)nc12.
What is the InChIKey of 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile?
The InChIKey is PVWKJSHVCRYVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H10F6N8/c31-29(32,33)27-21(15-7-3-1-4-8-15)41-23-19(17(11-37)12-38)24-26(20(25(23)43-27)18(13-39)14-40)44-28(30(34,35)36)22(42-24)16-9-5-2-6-10-16/h1-10H.
What are the key properties of 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile?
2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile has a molecular weight of 596.45 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile is sourced from PubChem (CID 89240894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).