C168H105N13O2 — CID 157124693
8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 157124693) has the molecular formula C168H105N13O2 and a molecular weight of 2337.78 g/mol. Its IUPAC name is 8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.
| Compound Name | 8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole |
|---|---|
| PubChem CID | 157124693 |
| Molecular Formula | C168H105N13O2 |
| Molecular Weight | 2337.78 g/mol |
| Exact Mass | 2335.85 |
| IUPAC Name | 8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole |
| SMILES | c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccnc7c6oc6ccccc67)cc5)ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)ccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7cccnc7c6c5)ccc43)cc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C58H37N5.C58H36N4O.C52H32N4O/c1-4-15-38(16-5-1)50-36-44(37-51(60-50)39-17-6-2-7-18-39)63-53-24-13-11-22-46(53)48-34-41(27-30-55(48)63)40-26-29-54-47(33-40)45-21-10-12-23-52(45)62(54)43-28-31-56-49(35-43)58-57(25-14-32-59-58)61(56)42-19-8-3-9-20-42;1-3-13-38(14-4-1)50-35-43(36-51(60-50)39-15-5-2-6-16-39)62-53-21-11-8-18-46(53)49-34-41(26-30-55(49)62)40-25-29-54-48(33-40)45-17-7-10-20-52(45)61(54)42-27-23-37(24-28-42)44-31-32-59-57-47-19-9-12-22-56(47)63-58(44)57;1-3-12-33(13-4-1)44-31-38(32-45(54-44)34-14-5-2-6-15-34)56-47-19-10-8-17-40(47)42-29-36(22-25-49(42)56)35-21-24-48-41(28-35)39-16-7-9-18-46(39)55(48)37-23-26-50-43(30-37)52-51(57-50)20-11-27-53-52/h1-37H;1-36H;1-32H |
| InChIKey | AIJJDTGQFGYHLS-UHFFFAOYSA-N |
| XLogP | 43.58 |
| TPSA | 138.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2337.78 |
| LogP ≤ 5 | 43.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |