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Structure & Deep Data of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine (C21H14ClN3)

Identification of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine Chemical Compound

2D chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine
Chemical Formula C21H14ClN3
Molecular Weight 343.80866 g/mol
IUPAC Name 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine
SMILES String Clc1ccc(cc1)c3nnc(c2ccccc2)c(n3)c4ccccc4
InChI InChI=1S/C21H14ClN3/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-25-21)16-9-5-2-6-10-16/h1-14H
InChIKey HEMAWLMONQHERA-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine molecule contains a total of 42 bond(s). There are 28 non-H bond(s), 24 multiple bond(s), 3 rotatable bond(s), 24 aromatic bond(s), and 4 six-membered ring(s). Images of the chemical structure of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine are given below:

2D chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine
2-dimensional (2D) chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine
3D chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine
3-dimensional (3D) chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine

The 2D chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine is provided here.

The 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine Molecule

  • Other names (synonyms) or registry numbers of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine

    The 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine including the various registry numbers, if available:

    • CCG-244197
    • HMS2798N21
    • 62230-36-8
    • 1,2,4-Triazine, 3-(4-chlorophenyl)-5,6-diphenyl-

3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine?
C21H14ClN3
How many atoms and what are the elements included the 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine molecule?
39 atom(s) - 14 Hydrogen atom(s), 21 Carbon atom(s), 3 Nitrogen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine structure?
42 bond(s) - 28 non-H bond(s), 24 multiple bond(s), 3 rotatable bond(s), 24 aromatic bond(s), and 4 six-membered ring(s)
What’s the 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine’s molecular weight?
343.80866 g/mol
What’s the SMILES code of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine?
Clc1ccc(cc1)c3nnc(c2ccccc2)c(n3)c4ccccc4
What’s the InChI string of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine?
InChI=1S/C21H14ClN3/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-25-21)16-9-5-2-6-10-16/h1-14H
What’s the InChIKey code of 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine?
HEMAWLMONQHERA-UHFFFAOYSA-N

37 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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