C186H246ClFN28O — CID 160723413
4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol (PubChem CID 160723413) has the molecular formula C186H246ClFN28O and a molecular weight of 2944.66 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol.
| Compound Name | 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol |
|---|---|
| PubChem CID | 160723413 |
| Molecular Formula | C186H246ClFN28O |
| Molecular Weight | 2944.66 g/mol |
| Exact Mass | 2941.97 |
| IUPAC Name | 4-tert-butyl-5-chloro-1H-indazole;hexakis(4-tert-butyl-3,5-dimethyl-2H-indazole);7-tert-butyl-6-fluoro-1H-indazole;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;8-tert-butylquinolin-6-ol |
| SMILES | CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1cc(O)cc2cccnc12.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C |
| InChI | InChI=1S/6C13H18N2.C13H15NO.2C13H17N.3C12H16N2.C11H13ClN2.C11H13FN2.C11H15N3/c6*1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4/h6*6-7H,1-5H3,(H,14,15);4-8,15H,1-3H3;2*5-8,14H,1-4H3;3*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14) |
| InChIKey | RTJYNAWZMDDGIO-UHFFFAOYSA-N |
| XLogP | 50.23 |
| TPSA | 421.75 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2944.66 |
| LogP ≤ 5 | 50.23 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 15 |