C191H124N12O2S8 — CID 158567155
2-[4-[7,7-dimethyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]fluoren-5-yl]phenyl]-1,3-thiazole;2-[4-[2,3-diphenyl-4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-thiazole;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-phenyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]carbazol-5-yl]phenyl]-1,3-thiazole;2-[4-[9-phenyl-7-[4-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-1,3-thiazole (PubChem CID 158567155) has the molecular formula C191H124N12O2S8 and a molecular weight of 2875.71 g/mol. Its IUPAC name is 2-[4-[7,7-dimethyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]fluoren-5-yl]phenyl]-1,3-thiazole;2-[4-[2,3-diphenyl-4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-thiazole;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-phenyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]carbazol-5-yl]phenyl]-1,3-thiazole;2-[4-[9-phenyl-7-[4-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-1,3-thiazole.
| Compound Name | 2-[4-[7,7-dimethyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]fluoren-5-yl]phenyl]-1,3-thiazole;2-[4-[2,3-diphenyl-4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-thiazole;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-phenyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]carbazol-5-yl]phenyl]-1,3-thiazole;2-[4-[9-phenyl-7-[4-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-1,3-thiazole |
|---|---|
| PubChem CID | 158567155 |
| Molecular Formula | C191H124N12O2S8 |
| Molecular Weight | 2875.71 g/mol |
| Exact Mass | 2872.77 |
| IUPAC Name | 2-[4-[7,7-dimethyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]fluoren-5-yl]phenyl]-1,3-thiazole;2-[4-[2,3-diphenyl-4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-thiazole;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-phenyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]carbazol-5-yl]phenyl]-1,3-thiazole;2-[4-[9-phenyl-7-[4-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-1,3-thiazole |
| SMILES | CC1(C)c2cc(-c3ccc(-c4nccs4)cc3)ccc2-c2c1cc(-c1ccc(-c3nccs3)cc1)c1ccccc21.c1ccc(-c2c(-c3ccccc3)c(-c3ccc(-c4nccs4)cc3)c3ccccc3c2-c2ccc(-c3nccs3)cc2)cc1.c1ccc(-c2ccc3c(-c4ccc(-c5ncco5)cc4)c4ccccc4c(-c4ccc(-c5ncco5)cc4)c3c2)cc1.c1ccc(-n2c3cc(-c4ccc(-c5nccs5)cc4)ccc3c3c4ccccc4c(-c4ccc(-c5nccs5)cc4)cc32)cc1.c1ccc(-n2c3cc(-c4ccc(-c5nccs5)cc4)ccc3c3ccc(-c4ccc(-c5nccs5)cc4)cc32)cc1 |
| InChI | InChI=1S/C40H25N3S2.C40H26N2S2.C38H24N2O2.C37H26N2S2.C36H23N3S2/c1-2-6-31(7-3-1)43-36-24-30(26-10-14-28(15-11-26)39-41-20-22-44-39)18-19-34(36)38-33-9-5-4-8-32(33)35(25-37(38)43)27-12-16-29(17-13-27)40-42-21-23-45-40;1-3-9-27(10-4-1)37-35(29-15-19-31(20-16-29)39-41-23-25-43-39)33-13-7-8-14-34(33)36(38(37)28-11-5-2-6-12-28)30-17-21-32(22-18-30)40-42-24-26-44-40;1-2-6-25(7-3-1)30-18-19-33-34(24-30)36(27-12-16-29(17-13-27)38-40-21-23-42-38)32-9-5-4-8-31(32)35(33)26-10-14-28(15-11-26)37-39-20-22-41-37;1-37(2)32-21-27(23-7-11-25(12-8-23)35-38-17-19-40-35)15-16-30(32)34-29-6-4-3-5-28(29)31(22-33(34)37)24-9-13-26(14-10-24)36-39-18-20-41-36;1-2-4-30(5-3-1)39-33-22-28(24-6-10-26(11-7-24)35-37-18-20-40-35)14-16-31(33)32-17-15-29(23-34(32)39)25-8-12-27(13-9-25)36-38-19-21-41-36/h1-25H;1-26H;1-24H;3-22H,1-2H3;1-23H |
| InChIKey | HRPVXEDTXOVADU-UHFFFAOYSA-N |
| XLogP | 54.67 |
| TPSA | 165.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 213 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2875.71 |
| LogP ≤ 5 | 54.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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