4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile

C34H20N4S — CID 139381470

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2sc2ccccc23)cc1
InChIInChI=1S/C34H20N4S/c35-21-22-15-17-23(18-16-22)30-28(20-19-27-26-13-7-8-14-29(26)39-31(27)30)34-37-32(24-9-3-1-4-10-24)36-33(38-34)25-11-5-2-6-12-25/h1-20H
InChIKeyGILFPYUKSJFVLK-UHFFFAOYSA-N
MW516.63 g/mol
LogP8.78
Rot. Bonds4

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile (PubChem CID 139381470) has the molecular formula C34H20N4S and a molecular weight of 516.63 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile
PubChem CID139381470
Molecular FormulaC34H20N4S
Molecular Weight516.63 g/mol
Exact Mass516.14
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2sc2ccccc23)cc1
InChIInChI=1S/C34H20N4S/c35-21-22-15-17-23(18-16-22)30-28(20-19-27-26-13-7-8-14-29(26)39-31(27)30)34-37-32(24-9-3-1-4-10-24)36-33(38-34)25-11-5-2-6-12-25/h1-20H
InChIKeyGILFPYUKSJFVLK-UHFFFAOYSA-N
XLogP8.78
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile 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

4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]benzonitrile
CID 139381762
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile
CID 159528396
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzothiophen-3-yl]pyrimidine
CID 142491094
4-[4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 155050156
2,4-diphenyl-6-[4-[4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161391160
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 142491145
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-(3-phenanthren-3-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146766875
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 172500155
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
3-[4-(3-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)benzonitrile
CID 155377145

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile (CID 139381470) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile is N#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2sc2ccccc23)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile?
The InChIKey is GILFPYUKSJFVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4S/c35-21-22-15-17-23(18-16-22)30-28(20-19-27-26-13-7-8-14-29(26)39-31(27)30)34-37-32(24-9-3-1-4-10-24)36-33(38-34)25-11-5-2-6-12-25/h1-20H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile has a molecular weight of 516.63 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile is sourced from PubChem (CID 139381470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).