C246H154N42 — CID 159279543
bis(11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole);12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 159279543) has the molecular formula C246H154N42 and a molecular weight of 3698.23 g/mol. Its IUPAC name is bis(11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole);12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.
| Compound Name | bis(11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole);12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 159279543 |
| Molecular Formula | C246H154N42 |
| Molecular Weight | 3698.23 g/mol |
| Exact Mass | 3695.33 |
| IUPAC Name | bis(11,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole);12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccn6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncccn6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncncn6)c5c43)n2)cc1 |
| InChI | InChI=1S/2C48H30N8.C39H25N5.C38H24N6.C37H23N7.C36H22N8/c2*1-5-17-31(18-6-1)43-49-44(32-19-7-2-8-20-32)52-47(51-43)55-39-27-15-13-25-35(39)37-29-30-38-36-26-14-16-28-40(36)56(42(38)41(37)55)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34;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)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-3-13-25(14-4-1)36-40-37(26-15-5-2-6-16-26)42-38(41-36)44-32-20-10-8-18-28(32)30-23-22-29-27-17-7-9-19-31(27)43(34(29)35(30)44)33-21-11-12-24-39-33;1-3-12-24(13-4-1)34-40-35(25-14-5-2-6-15-25)42-37(41-34)44-31-19-10-8-17-27(31)29-21-20-28-26-16-7-9-18-30(26)43(32(28)33(29)44)36-38-22-11-23-39-36;1-3-11-23(12-4-1)33-40-34(24-13-5-2-6-14-24)42-36(41-33)44-30-18-10-8-16-26(30)28-20-19-27-25-15-7-9-17-29(25)43(31(27)32(28)44)35-38-21-37-22-39-35/h2*1-30H;1-25H;1-24H;1-23H;1-22H |
| InChIKey | KYSWGFXAFCAYON-UHFFFAOYSA-N |
| XLogP | 55.81 |
| TPSA | 445.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3698.23 |
| LogP ≤ 5 | 55.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |