C180H113N13OS — CID 159289835
8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 159289835) has the molecular formula C180H113N13OS and a molecular weight of 2506.04 g/mol. Its IUPAC name is 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.
| Compound Name | 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole |
|---|---|
| PubChem CID | 159289835 |
| Molecular Formula | C180H113N13OS |
| Molecular Weight | 2506.04 g/mol |
| Exact Mass | 2503.89 |
| IUPAC Name | 8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)c5)cc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)c5)cc43)c2)cc1 |
| InChI | InChI=1S/C64H41N5.C58H36N4O.C58H36N4S/c1-4-16-42(17-5-1)48-38-56(43-18-6-2-7-19-43)66-63(40-48)69-58-27-13-10-24-51(58)53-32-29-47(39-62(53)69)45-21-14-20-44(36-45)46-30-33-59-54(37-46)52-25-11-12-26-57(52)68(59)50-31-34-60-55(41-50)64-61(28-15-35-65-64)67(60)49-22-8-3-9-23-49;2*1-3-13-37(14-4-1)43-33-50(38-15-5-2-6-16-38)60-57(35-43)62-52-22-10-7-19-45(52)47-27-24-42(34-54(47)62)40-18-11-17-39(31-40)41-25-28-53-48(32-41)46-20-8-9-21-51(46)61(53)44-26-29-55-49(36-44)58-56(63-55)23-12-30-59-58/h1-41H;2*1-36H |
| InChIKey | KZYYBPRABHPQSH-UHFFFAOYSA-N |
| XLogP | 47.38 |
| TPSA | 124.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2506.04 |
| LogP ≤ 5 | 47.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |