C129H82N16O4 — CID 161203171
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-c]pyridine;9-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 161203171) has the molecular formula C129H82N16O4 and a molecular weight of 1920.18 g/mol. Its IUPAC name is 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-c]pyridine;9-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]oxazolo[5,4-c]pyridine.
| Compound Name | 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-c]pyridine;9-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]oxazolo[5,4-c]pyridine |
|---|---|
| PubChem CID | 161203171 |
| Molecular Formula | C129H82N16O4 |
| Molecular Weight | 1920.18 g/mol |
| Exact Mass | 1918.67 |
| IUPAC Name | 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-c]pyridine;9-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]oxazolo[5,4-c]pyridine |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccncc4o3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccncc4o3)nc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccncc4o3)cc2)cc1.c1ccc2c(c1)c1cccnc1n2-c1ccc(-c2nc3ccncc3o2)nc1 |
| InChI | InChI=1S/C36H24N4O.C36H23N3O.C35H22N4O.C22H13N5O/c1-3-9-26(10-4-1)39(27-11-5-2-6-12-27)29-19-20-34-31(23-29)30-13-7-8-14-33(30)40(34)28-17-15-25(16-18-28)36-38-32-21-22-37-24-35(32)41-36;1-3-7-24(8-4-1)27-13-17-33-30(21-27)31-22-28(25-9-5-2-6-10-25)14-18-34(31)39(33)29-15-11-26(12-16-29)36-38-32-19-20-37-23-35(32)40-36;1-3-7-23(8-4-1)25-11-15-32-28(19-25)29-20-26(24-9-5-2-6-10-24)12-16-33(29)39(32)27-13-14-31(37-21-27)35-38-30-17-18-36-22-34(30)40-35;1-2-6-19-15(4-1)16-5-3-10-24-21(16)27(19)14-7-8-18(25-12-14)22-26-17-9-11-23-13-20(17)28-22/h1-24H;1-23H;1-22H;1-13H |
| InChIKey | UVGGGMNOUWTQTI-UHFFFAOYSA-N |
| XLogP | 32.27 |
| TPSA | 217.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1920.18 |
| LogP ≤ 5 | 32.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |