C192H175N21O2S — CID 165024987
9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline (PubChem CID 165024987) has the molecular formula C192H175N21O2S and a molecular weight of 2840.72 g/mol. Its IUPAC name is 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline.
| Compound Name | 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline |
|---|---|
| PubChem CID | 165024987 |
| Molecular Formula | C192H175N21O2S |
| Molecular Weight | 2840.72 g/mol |
| Exact Mass | 2838.40 |
| IUPAC Name | 9-(4-tert-butyl-6-dibenzo-p-dioxin-2-yl-1,3,5-triazin-2-yl)carbazole;2-tert-butyl-4-phenylbenzo[h]quinazoline;2-tert-butyl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;1-tert-butyl-3-phenyl-2,9-phenanthroline;3-tert-butyl-2-phenyl-1,10-phenanthroline;8-tert-butyl-9-phenylpyrido[2,3-f]quinoxaline;2-tert-butyl-4-phenylquinazoline;4-tert-butyl-2-phenylquinazoline;2-tert-butyl-3-phenylquinoxaline |
| SMILES | CC(C)(C)c1cc2ccc3cccnc3c2nc1-c1ccccc1.CC(C)(C)c1cc2ccc3nccnc3c2nc1-c1ccccc1.CC(C)(C)c1nc(-c2ccc3c(c2)Oc2ccccc2O3)nc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1nc(-c2ccccc2)c2ccc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)c2sc3ccccc3c2n1.CC(C)(C)c1nc(-c2ccccc2)cc2ccc3ccncc3c12.CC(C)(C)c1nc(-c2ccccc2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1-c1ccccc1 |
| InChI | InChI=1S/C31H24N4O2.3C22H20N2.C21H19N3.C20H18N2S.3C18H18N2/c1-31(2,3)29-32-28(19-16-17-26-27(18-19)37-25-15-9-8-14-24(25)36-26)33-30(34-29)35-22-12-6-4-10-20(22)21-11-5-7-13-23(21)35;1-22(2,3)21-23-19(16-10-5-4-6-11-16)18-14-13-15-9-7-8-12-17(15)20(18)24-21;1-22(2,3)18-14-17-12-11-16-10-7-13-23-20(16)21(17)24-19(18)15-8-5-4-6-9-15;1-22(2,3)21-20-17(10-9-15-11-12-23-14-18(15)20)13-19(24-21)16-7-5-4-6-8-16;1-21(2,3)16-13-15-9-10-17-20(23-12-11-22-17)19(15)24-18(16)14-7-5-4-6-8-14;1-20(2,3)19-21-16(13-9-5-4-6-10-13)18-17(22-19)14-11-7-8-12-15(14)23-18;1-18(2,3)16-14-11-7-8-12-15(14)19-17(20-16)13-9-5-4-6-10-13;1-18(2,3)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)20-17;1-18(2,3)17-19-15-12-8-7-11-14(15)16(20-17)13-9-5-4-6-10-13/h4-18H,1-3H3;3*4-14H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;3*4-12H,1-3H3 |
| InChIKey | LSUZARCHJOCRAI-UHFFFAOYSA-N |
| XLogP | 49.81 |
| TPSA | 281.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2840.72 |
| LogP ≤ 5 | 49.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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