C202H132N24 — CID 160561828
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole (PubChem CID 160561828) has the molecular formula C202H132N24 and a molecular weight of 2895.45 g/mol. Its IUPAC name is 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole.
| Compound Name | 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole |
|---|---|
| PubChem CID | 160561828 |
| Molecular Formula | C202H132N24 |
| Molecular Weight | 2895.45 g/mol |
| Exact Mass | 2893.11 |
| IUPAC Name | 9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C55H36N6.3C49H32N6/c1-4-16-37(17-5-1)48-36-49(57-52(56-48)38-18-6-2-7-19-38)43-24-14-22-41(34-43)42-23-15-25-44(35-42)55-59-53(39-20-8-3-9-21-39)58-54(60-55)40-30-32-45(33-31-40)61-50-28-12-10-26-46(50)47-27-11-13-29-51(47)61;1-4-16-33(17-5-1)46-50-42(32-45(51-46)55-43-28-12-10-26-40(43)41-27-11-13-29-44(41)55)38-24-14-22-36(30-38)37-23-15-25-39(31-37)49-53-47(34-18-6-2-7-19-34)52-48(54-49)35-20-8-3-9-21-35;1-4-16-33(17-5-1)42-32-43(51-49(50-42)55-44-28-12-10-26-40(44)41-27-11-13-29-45(41)55)38-24-14-22-36(30-38)37-23-15-25-39(31-37)48-53-46(34-18-6-2-7-19-34)52-47(54-48)35-20-8-3-9-21-35;1-4-16-33(17-5-1)42-32-43(51-46(50-42)34-18-6-2-7-19-34)38-24-14-22-36(30-38)37-23-15-25-39(31-37)48-52-47(35-20-8-3-9-21-35)53-49(54-48)55-44-28-12-10-26-40(44)41-27-11-13-29-45(41)55/h1-36H;3*1-32H |
| InChIKey | QZKKKIFZWZPZIS-UHFFFAOYSA-N |
| XLogP | 48.71 |
| TPSA | 277.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 226 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2895.45 |
| LogP ≤ 5 | 48.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |