C170H110N18 — CID 157399979
5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 157399979) has the molecular formula C170H110N18 and a molecular weight of 2404.88 g/mol. Its IUPAC name is 5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole.
| Compound Name | 5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 157399979 |
| Molecular Formula | C170H110N18 |
| Molecular Weight | 2404.88 g/mol |
| Exact Mass | 2402.92 |
| IUPAC Name | 5,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1 |
| InChI | InChI=1S/C48H30N8.2C41H27N3.C40H26N4/c1-5-17-31(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)37-30-42-38(29-41(37)55)36-26-14-16-28-40(36)56(42)48-53-45(33-21-9-3-10-22-33)50-46(54-48)34-23-11-4-12-24-34;1-4-14-28(15-5-1)30-24-36(29-16-6-2-7-17-29)42-41(25-30)44-38-23-13-11-21-33(38)35-26-39-34(27-40(35)44)32-20-10-12-22-37(32)43(39)31-18-8-3-9-19-31;1-4-14-28(15-5-1)36-24-31(25-37(42-36)29-16-6-2-7-17-29)44-39-23-13-11-21-33(39)35-26-40-34(27-41(35)44)32-20-10-12-22-38(32)43(40)30-18-8-3-9-19-30;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-24-38-32(25-39(33)44)30-20-10-12-22-36(30)43(38)29-18-8-3-9-19-29/h1-30H;2*1-27H;1-26H |
| InChIKey | BNAOALRWSZCESB-UHFFFAOYSA-N |
| XLogP | 42.14 |
| TPSA | 168.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2404.88 |
| LogP ≤ 5 | 42.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |