C152H123N19O — CID 158232453
6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;3-(4-methylphenyl)-4,5-diphenyl-1,2,4-triazole;1-methyl-2-phenylimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylquinoxaline (PubChem CID 158232453) has the molecular formula C152H123N19O and a molecular weight of 2231.79 g/mol. Its IUPAC name is 6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;3-(4-methylphenyl)-4,5-diphenyl-1,2,4-triazole;1-methyl-2-phenylimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylquinoxaline.
| Compound Name | 6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;3-(4-methylphenyl)-4,5-diphenyl-1,2,4-triazole;1-methyl-2-phenylimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylquinoxaline |
|---|---|
| PubChem CID | 158232453 |
| Molecular Formula | C152H123N19O |
| Molecular Weight | 2231.79 g/mol |
| Exact Mass | 2230.02 |
| IUPAC Name | 6-methyl-2,3-diphenylquinoxaline;1-methyl-2-phenylbenzimidazole;2-methyl-1-phenylbenzimidazole;3-(4-methylphenyl)-4,5-diphenyl-1,2,4-triazole;1-methyl-2-phenylimidazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole;2-(4-methylphenyl)-1-phenylbenzimidazole;2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylquinoxaline |
| SMILES | Cc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1.Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.Cc1nc2c3ccccc3c3ccccc3c2n1-c1ccccc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2nc1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.Cn1ccnc1-c1ccccc1 |
| InChI | InChI=1S/C22H16N2.C21H17N3.C21H16N2.C20H16N2.C15H12N2O.C15H12N2.2C14H12N2.C10H10N2/c1-15-23-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22(21)24(15)16-9-3-2-4-10-16;1-16-12-14-18(15-13-16)21-23-22-20(17-8-4-2-5-9-17)24(21)19-10-6-3-7-11-19;1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16;1-15-11-13-16(14-12-15)20-21-18-9-5-6-10-19(18)22(20)17-7-3-2-4-8-17;1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12;1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-12-8-7-11-10(12)9-5-3-2-4-6-9/h2-14H,1H3;2-15H,1H3;2-14H,1H3;2-14H,1H3;2-10H,1H3;2-10H,1H3;2*2-10H,1H3;2-8H,1H3 |
| InChIKey | GENVIVPTDZBDSC-UHFFFAOYSA-N |
| XLogP | 36.80 |
| TPSA | 210.29 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2231.79 |
| LogP ≤ 5 | 36.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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