C200H112N24O16 — CID 157321618
10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine (PubChem CID 157321618) has the molecular formula C200H112N24O16 and a molecular weight of 3107.25 g/mol. Its IUPAC name is 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine.
| Compound Name | 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine |
|---|---|
| PubChem CID | 157321618 |
| Molecular Formula | C200H112N24O16 |
| Molecular Weight | 3107.25 g/mol |
| Exact Mass | 3104.87 |
| IUPAC Name | 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine |
| SMILES | c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cccnc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ccncc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cnccc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ncccc4o3)cc12 |
| InChI | InChI=1S/4C50H28N6O4/c1-5-17-43-37(13-1)55(38-14-2-6-18-44(38)57-43)41-27-29(47-53-35-11-9-23-51-49(35)59-47)25-33-31(41)21-22-32-34(33)26-30(48-54-36-12-10-24-52-50(36)60-48)28-42(32)56-39-15-3-7-19-45(39)58-46-20-8-4-16-40(46)56;1-5-15-41-35(11-1)55(36-12-2-6-16-42(36)57-41)39-27-29(49-53-47-45(59-49)19-9-23-51-47)25-33-31(39)21-22-32-34(33)26-30(50-54-48-46(60-50)20-10-24-52-48)28-40(32)56-37-13-3-7-17-43(37)58-44-18-8-4-14-38(44)56;1-5-13-45-37(9-1)55(38-10-2-6-14-46(38)57-45)41-25-29(49-53-35-27-51-21-19-43(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-28-52-22-20-44(36)60-50)26-42(32)56-39-11-3-7-15-47(39)58-48-16-8-4-12-40(48)56;1-5-13-43-37(9-1)55(38-10-2-6-14-44(38)57-43)41-25-29(49-53-35-19-21-51-27-47(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-20-22-52-28-48(36)60-50)26-42(32)56-39-11-3-7-15-45(39)58-46-16-8-4-12-40(46)56/h4*1-28H |
| InChIKey | BEFQXNMPGSXJLL-UHFFFAOYSA-N |
| XLogP | 54.20 |
| TPSA | 411.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3107.25 |
| LogP ≤ 5 | 54.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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