9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile

C23H7F3N6 — CID 143691854

IUPAC9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#CC(C#N)=C1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C23H7F3N6/c24-23(25,26)15-4-1-12(2-5-15)13-3-6-16-17(7-13)21-22(20(16)14(8-27)9-28)32-19(11-30)18(10-29)31-21/h1-7H
InChIKeyKZWFPZBGPVWERW-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.74
Rot. Bonds1

About 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile

9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 143691854) has the molecular formula C23H7F3N6 and a molecular weight of 424.35 g/mol. Its IUPAC name is 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID143691854
Molecular FormulaC23H7F3N6
Molecular Weight424.35 g/mol
Exact Mass424.07
IUPAC Name9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#CC(C#N)=C1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C23H7F3N6/c24-23(25,26)15-4-1-12(2-5-15)13-3-6-16-17(7-13)21-22(20(16)14(8-27)9-28)32-19(11-30)18(10-29)31-21/h1-7H
InChIKeyKZWFPZBGPVWERW-UHFFFAOYSA-N
XLogP4.74
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile
CID 157329307
(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9,23-bis[4-(trifluoromethyl)phenyl]-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]-2-isocyanoacetonitrile
CID 58013021
2-[14-(dicyanomethylidene)-7-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]propanedinitrile
CID 139501581
2-[25-(dicyanomethylidene)-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]propanedinitrile
CID 88884319
3,7-bis(dicyanomethylidene)-2,6-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
CID 129206111
2-[12-(dicyanomethylidene)-2,8-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881721
(9E)-9-[cyano(isocyano)methylidene]-7-(3-phenylphenyl)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 172528137
2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile
CID 146535236
2-[(20Z)-20-[amino(cyano)methylidene]-11-methyl-6,16-bis[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,14(19),15,17-octaen-10-ylidene]propanedinitrile
CID 162557019
9-[cyano(isocyano)methylidene]-6-(5-phenylthiophen-2-yl)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 72539976
2-[14-(dicyanomethylidene)-17-[(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-6-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanedinitrile
CID 90382251
(2E)-2-[7,8-bis[4-(trifluoromethyl)phenyl]indeno[1,2-b]quinoxalin-11-ylidene]-2-isocyanoacetonitrile
CID 59194421

Frequently Asked Questions

What is the IUPAC name of 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 143691854) is 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#CC(C#N)=C1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2-c2nc(C#N)c(C#N)nc21.
What is the InChIKey of 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is KZWFPZBGPVWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H7F3N6/c24-23(25,26)15-4-1-12(2-5-15)13-3-6-16-17(7-13)21-22(20(16)14(8-27)9-28)32-19(11-30)18(10-29)31-21/h1-7H.
What are the key properties of 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 424.35 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyanomethylidene)-6-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 143691854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).