C144H88N16O8S4 — CID 157181053
10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 157181053) has the molecular formula C144H88N16O8S4 and a molecular weight of 2298.66 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine.
| Compound Name | 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine |
|---|---|
| PubChem CID | 157181053 |
| Molecular Formula | C144H88N16O8S4 |
| Molecular Weight | 2298.66 g/mol |
| Exact Mass | 2296.59 |
| IUPAC Name | 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine |
| SMILES | c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1 |
| InChI | InChI=1S/4C36H22N4O2S/c1-5-15-31-27(11-1)39(28-12-2-6-16-32(28)41-31)24-20-23(35-38-26-10-9-19-37-36(26)43-35)21-25(22-24)40-29-13-3-7-17-33(29)42-34-18-8-4-14-30(34)40;1-5-14-30-26(10-1)39(27-11-2-6-15-31(27)41-30)24-20-23(36-38-35-34(43-36)18-9-19-37-35)21-25(22-24)40-28-12-3-7-16-32(28)42-33-17-8-4-13-29(33)40;1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)24-19-23(36-38-26-22-37-18-17-35(26)43-36)20-25(21-24)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40;1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)24-19-23(36-38-26-17-18-37-22-35(26)43-36)20-25(21-24)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h4*1-22H |
| InChIKey | AOOMRKNTDZNSOR-UHFFFAOYSA-N |
| XLogP | 42.04 |
| TPSA | 202.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2298.66 |
| LogP ≤ 5 | 42.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |