C208H136N16 — CID 159539371
3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole (PubChem CID 159539371) has the molecular formula C208H136N16 and a molecular weight of 2859.49 g/mol. Its IUPAC name is 3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole.
| Compound Name | 3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159539371 |
| Molecular Formula | C208H136N16 |
| Molecular Weight | 2859.49 g/mol |
| Exact Mass | 2857.11 |
| IUPAC Name | 3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)n2)cc1 |
| InChI | InChI=1S/C53H35N3.2C52H34N4.C51H33N5/c1-4-14-36(15-5-1)42-34-48(39-16-6-2-7-17-39)54-53(35-42)56-50-23-13-11-21-45(50)47-33-41(29-31-52(47)56)38-26-24-37(25-27-38)40-28-30-51-46(32-40)44-20-10-12-22-49(44)55(51)43-18-8-3-9-19-43;1-4-14-37(15-5-1)46-34-47(38-16-6-2-7-17-38)54-52(53-46)56-49-23-13-11-21-43(49)45-33-40(29-31-51(45)56)36-26-24-35(25-27-36)39-28-30-50-44(32-39)42-20-10-12-22-48(42)55(50)41-18-8-3-9-19-41;1-4-14-37(15-5-1)46-34-51(54-52(53-46)38-16-6-2-7-17-38)56-48-23-13-11-21-43(48)45-33-40(29-31-50(45)56)36-26-24-35(25-27-36)39-28-30-49-44(32-39)42-20-10-12-22-47(42)55(49)41-18-8-3-9-19-41;1-4-14-36(15-5-1)49-52-50(37-16-6-2-7-17-37)54-51(53-49)56-46-23-13-11-21-42(46)44-33-39(29-31-48(44)56)35-26-24-34(25-27-35)38-28-30-47-43(32-38)41-20-10-12-22-45(41)55(47)40-18-8-3-9-19-40/h1-35H;2*1-34H;1-33H |
| InChIKey | MDZRUKNLVGDVCA-UHFFFAOYSA-N |
| XLogP | 53.36 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.49 |
| LogP ≤ 5 | 53.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |