C188H174N26 — CID 159458035
2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine (PubChem CID 159458035) has the molecular formula C188H174N26 and a molecular weight of 2797.64 g/mol. Its IUPAC name is 2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine.
| Compound Name | 2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine |
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| PubChem CID | 159458035 |
| Molecular Formula | C188H174N26 |
| Molecular Weight | 2797.64 g/mol |
| Exact Mass | 2795.44 |
| IUPAC Name | 2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine |
| SMILES | Cc1cc2cc3ccccc3nc2cc1C.Cc1cc2nccnc2cc1C.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)c2nccnc12.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2nc3cc(C)ccc3cc2c1.Cc1ccc2nc3ccc(C)cc3cc2c1.Cc1ccc2nc3ccccc3c(C)c2c1.Cc1cccc(-c2cccc(C)n2)n1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1cnc2c(ccc3cc(C)cnc32)c1.Cc1cnc2cccc(C)c2n1.Cc1nc2ccccc2nc1C |
| InChI | InChI=1S/4C15H13N.3C14H12N2.3C12H12N2.5C10H10N2/c1-10-4-6-14-13(7-10)9-12-5-3-11(2)8-15(12)16-14;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14;1-10-7-13-9-12-5-3-4-6-14(12)16-15(13)8-11(10)2;1-10-7-8-15-13(9-10)11(2)12-5-3-4-6-14(12)16-15;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-8(2)10-9(7)11-5-6-12-10;1-7-4-3-5-9-10(7)12-8(2)6-11-9;1-7-8(2)12-10-6-4-3-5-9(10)11-7/h4*3-9H,1-2H3;3*3-8H,1-2H3;3*3-8H,1-2H3;5*3-6H,1-2H3 |
| InChIKey | LUFQTMBCZFVKIB-UHFFFAOYSA-N |
| XLogP | 45.73 |
| TPSA | 335.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2797.64 |
| LogP ≤ 5 | 45.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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