C197H124N14O4 — CID 157104878
5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole (PubChem CID 157104878) has the molecular formula C197H124N14O4 and a molecular weight of 2751.25 g/mol. Its IUPAC name is 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole.
| Compound Name | 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole |
|---|---|
| PubChem CID | 157104878 |
| Molecular Formula | C197H124N14O4 |
| Molecular Weight | 2751.25 g/mol |
| Exact Mass | 2748.99 |
| IUPAC Name | 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)c3oc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc3c2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)c3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc(-c6cccc(-c7cccnc7)c6)nc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc(-c6cccnc6)nc5c4)ccc32)cc1 |
| InChI | InChI=1S/C52H33N3O.C49H31N3O.2C48H30N4O/c1-2-16-42(17-3-1)55-49-21-7-6-19-45(49)47-30-38(26-27-50(47)55)41-31-46(36-24-22-35(23-25-36)44-20-9-12-34-11-4-5-18-43(34)44)51-48(32-41)54-52(56-51)39-14-8-13-37(29-39)40-15-10-28-53-33-40;1-3-15-32(16-4-1)34-29-42(33-17-5-2-6-18-33)48-43(30-34)50-49(53-48)35-27-36(51-44-23-11-7-19-38(44)39-20-8-12-24-45(39)51)31-37(28-35)52-46-25-13-9-21-40(46)41-22-10-14-26-47(41)52;1-4-12-31(13-5-1)48-50-42-29-34(32-20-22-44-39(26-32)37-18-10-11-19-43(37)51(44)35-14-6-2-7-15-35)28-38(47(42)53-48)33-21-23-45-40(27-33)41-30-49-25-24-46(41)52(45)36-16-8-3-9-17-36;1-3-13-35(14-4-1)51-43-19-9-7-17-37(43)40-26-31(21-23-45(40)51)34-28-39(47-42(29-34)50-48(53-47)33-12-11-25-49-30-33)32-22-24-46-41(27-32)38-18-8-10-20-44(38)52(46)36-15-5-2-6-16-36/h1-33H;1-31H;2*1-30H |
| InChIKey | AGEMRESKZCDLQN-UHFFFAOYSA-N |
| XLogP | 51.67 |
| TPSA | 177.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 215 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.25 |
| LogP ≤ 5 | 51.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |