C171H109N23 — CID 162079311
12-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole (PubChem CID 162079311) has the molecular formula C171H109N23 and a molecular weight of 2485.91 g/mol. Its IUPAC name is 12-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole.
| Compound Name | 12-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 162079311 |
| Molecular Formula | C171H109N23 |
| Molecular Weight | 2485.91 g/mol |
| Exact Mass | 2483.92 |
| IUPAC Name | 12-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncc6)c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6cccc(-c7ccccn7)c6)nc(-c6cccc(-c7ccccn7)c6)n5)c4c32)cc1 |
| InChI | InChI=1S/C49H31N7.C45H29N5.C39H25N5.C38H24N6/c1-2-18-36(19-3-1)55-43-24-6-4-20-37(43)39-26-27-40-38-21-5-7-25-44(38)56(46(40)45(39)55)49-53-47(34-16-12-14-32(30-34)41-22-8-10-28-50-41)52-48(54-49)35-17-13-15-33(31-35)42-23-9-11-29-51-42;1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)32-19-14-22-34(29-32)50-40-26-13-11-24-36(40)38-28-27-37-35-23-10-12-25-39(35)49(41(37)42(38)50)33-20-8-3-9-21-33;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-35-31(25-36(32)44)29-20-10-12-22-33(29)43(35)28-18-8-3-9-19-28;1-3-11-25(12-4-1)36-40-37(26-13-5-2-6-14-26)42-38(41-36)44-33-18-10-8-16-29(33)31-20-19-30-28-15-7-9-17-32(28)43(34(30)35(31)44)27-21-23-39-24-22-27/h1-31H;1-29H;1-25H;1-24H |
| InChIKey | ZCCXKUDLYXLUBF-UHFFFAOYSA-N |
| XLogP | 40.79 |
| TPSA | 232.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2485.91 |
| LogP ≤ 5 | 40.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |