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Molecule
2-Chloro-4,6-Diphenyl-1,3,5-Triazine
CAS: 3842-55-5 · C15H10ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3842-55-5
- Molecular Formula
- C15H10ClN3
- Molecular Mass
- 267.72 g/mol
Identifiers
CAS Registry Number
3842-55-5
SMILES
Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChI Key
DDGPPAMADXTGTN-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- 2-Chloro-4,6-Diphenyl-1,3,5-Triazine Synonym
- 1,3,5-Triazine, 2-chloro-4,6-diphenyl- Synonym
- s-Triazine, 2-chloro-4,6-diphenyl- Synonym
- 2-Chloro-4,6-diphenyl-1,3,5-triazine Synonym
- 2-Chloro-4,6-bisphenyl-1,3,5-triazine Synonym
- 6-Chloro-2,4-diphenyl-s-triazine Synonym
- 2-Chloro-4,6-diphenyl-s-triazine Synonym
- NSC 231670 Synonym
- 2-Chloro-4,6-diphenyltriazine Synonym
- 2-Chlorodiphenyl-1,3,5-triazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.72 g/mol | CAS Common Chemistry |
| 267.719 g/mol | RDKit | |
| 267.716 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1N=C(N=C(N1)C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=DDGPPAMADXTGTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C | CAS Common Chemistry |
| Name | 2-Chloro-4,6-diphenyl-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| 37.08 Ų | chempirical lib | |
| LogP | 3.8590000000000018 | RDKit |
| 3.859 | RDKit | |
| Molar Refractivity | 75.70900000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 267.056325 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 267.72 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10ClN3.
