5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile

C27H9N9 — CID 102441956

IUPAC5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2nc(-c3cc(C#N)cc(C#N)c3)nc(-c3cc(C#N)cc(C#N)c3)n2)c1
InChIInChI=1S/C27H9N9/c28-10-16-1-17(11-29)5-22(4-16)25-34-26(23-6-18(12-30)2-19(7-23)13-31)36-27(35-25)24-8-20(14-32)3-21(9-24)15-33/h1-9H
InChIKeyOMXMLVTWPHVXFG-UHFFFAOYSA-N
MW459.43 g/mol
LogP4.10
Rot. Bonds3

About 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile

5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 102441956) has the molecular formula C27H9N9 and a molecular weight of 459.43 g/mol. Its IUPAC name is 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
PubChem CID102441956
Molecular FormulaC27H9N9
Molecular Weight459.43 g/mol
Exact Mass459.10
IUPAC Name5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2nc(-c3cc(C#N)cc(C#N)c3)nc(-c3cc(C#N)cc(C#N)c3)n2)c1
InChIInChI=1S/C27H9N9/c28-10-16-1-17(11-29)5-22(4-16)25-34-26(23-6-18(12-30)2-19(7-23)13-31)36-27(35-25)24-8-20(14-32)3-21(9-24)15-33/h1-9H
InChIKeyOMXMLVTWPHVXFG-UHFFFAOYSA-N
XLogP4.10
TPSA181.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 165099707
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-triphenylen-2-ylbenzonitrile
CID 137468913
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
2,6-diaminopyridine-4-carbonitrile
CID 55284821
5-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzene-1,3-dicarbonitrile
CID 134320433
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]benzonitrile
CID 138548266
3-(3-cyanophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-5-ium-2-yl)phenyl]benzonitrile
CID 145448423
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774596
5-[4-[3-(1-adamantyl)phenyl]-6-[4-(1-adamantyl)phenyl]-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
CID 168808397

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile (CID 102441956) is 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2nc(-c3cc(C#N)cc(C#N)c3)nc(-c3cc(C#N)cc(C#N)c3)n2)c1.
What is the InChIKey of 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is OMXMLVTWPHVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H9N9/c28-10-16-1-17(11-29)5-22(4-16)25-34-26(23-6-18(12-30)2-19(7-23)13-31)36-27(35-25)24-8-20(14-32)3-21(9-24)15-33/h1-9H.
What are the key properties of 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 459.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 102441956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).