| Pubchem ID | 135297307 |
|---|---|
| CAS | 67892-25-5 |
| IUPAC name | 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)N5C6=CC=CC=C6C7=CC8=C(C=C75)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2 |
| InCheykey | InChI=1S/C51H31N5/c1-3-15-32(16-4-1)34-19-13-20-35(29-34)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-46-28-12-9-23-38(46)43-30-41-40-25-14-24-39-36-21-7-10-26-44(36)55(48(39)40)45-27-11-8-22-37(45)42(41 )31-47(43)56/h1-31H |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 713.844 | 0 | 3 | 4 | 48.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Extremely Low Solubility | Binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |