C149H91N15OS3 — CID 159235427
5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine (PubChem CID 159235427) has the molecular formula C149H91N15OS3 and a molecular weight of 2203.67 g/mol. Its IUPAC name is 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine.
| Compound Name | 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine |
|---|---|
| PubChem CID | 159235427 |
| Molecular Formula | C149H91N15OS3 |
| Molecular Weight | 2203.67 g/mol |
| Exact Mass | 2201.67 |
| IUPAC Name | 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine |
| SMILES | c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cn4)sc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3nc(-n4c5ccccc5c5ccccc54)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3s2)cc1 |
| InChI | InChI=1S/C54H33N5S.C53H32N6S.C42H26N4OS/c1-7-19-45-38(13-1)39-14-2-8-20-46(39)57(45)36-29-25-34(26-30-36)44-33-51(59-49-23-11-5-17-42(49)43-18-6-12-24-50(43)59)55-53-52(44)60-54(56-53)35-27-31-37(32-28-35)58-47-21-9-3-15-40(47)41-16-4-10-22-48(41)58;1-7-19-44-36(13-1)37-14-2-8-20-45(37)57(44)34-27-25-33(26-28-34)42-31-50(59-48-23-11-5-17-40(48)41-18-6-12-24-49(41)59)55-52-51(42)60-53(56-52)43-30-29-35(32-54-43)58-46-21-9-3-15-38(46)39-16-4-10-22-47(39)58;1-3-11-34-32(9-1)33-10-2-4-12-35(33)45(34)30-23-19-28(20-24-30)42-44-41-40(48-42)25-29(26-43-41)27-17-21-31(22-18-27)46-36-13-5-7-15-38(36)47-39-16-8-6-14-37(39)46/h1-33H;1-32H;1-26H |
| InChIKey | KTKIOFWLNURTGX-UHFFFAOYSA-N |
| XLogP | 39.73 |
| TPSA | 137.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2203.67 |
| LogP ≤ 5 | 39.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |