C139H87N19O4 — CID 159718189
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyrazine;9-[4-([1,3]oxazolo[4,5-b]pyrazin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine (PubChem CID 159718189) has the molecular formula C139H87N19O4 and a molecular weight of 2087.35 g/mol. Its IUPAC name is 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyrazine;9-[4-([1,3]oxazolo[4,5-b]pyrazin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine.
| Compound Name | 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyrazine;9-[4-([1,3]oxazolo[4,5-b]pyrazin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine |
|---|---|
| PubChem CID | 159718189 |
| Molecular Formula | C139H87N19O4 |
| Molecular Weight | 2087.35 g/mol |
| Exact Mass | 2085.72 |
| IUPAC Name | 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyrazine;9-[4-([1,3]oxazolo[4,5-b]pyrazin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]oxazolo[4,5-b]pyrazine |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4nccnc4o3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4nccnc4o3)nc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4nccnc4o3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4nccnc4o3)cc2)cc1 |
| InChI | InChI=1S/C35H21N5O.C35H23N5O.C35H22N4O.C34H21N5O/c1-2-8-23(9-3-1)39-29-12-6-4-10-25(29)27-21-32-28(20-31(27)39)26-11-5-7-13-30(26)40(32)24-16-14-22(15-17-24)34-38-33-35(41-34)37-19-18-36-33;1-3-9-25(10-4-1)39(26-11-5-2-6-12-26)28-19-20-32-30(23-28)29-13-7-8-14-31(29)40(32)27-17-15-24(16-18-27)34-38-33-35(41-34)37-22-21-36-33;1-3-7-23(8-4-1)26-13-17-31-29(21-26)30-22-27(24-9-5-2-6-10-24)14-18-32(30)39(31)28-15-11-25(12-16-28)34-38-33-35(40-34)37-20-19-36-33;1-3-7-22(8-4-1)24-11-15-30-27(19-24)28-20-25(23-9-5-2-6-10-23)12-16-31(28)39(30)26-13-14-29(37-21-26)33-38-32-34(40-33)36-18-17-35-32/h1-21H;1-23H;1-22H;1-21H |
| InChIKey | MZRSAQDZYWBKOQ-UHFFFAOYSA-N |
| XLogP | 34.16 |
| TPSA | 248.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2087.35 |
| LogP ≤ 5 | 34.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |