C171H105N15 — CID 159716086
2-benzo[c]carbazol-7-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[c]carbazol-7-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[c]carbazol-7-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 159716086) has the molecular formula C171H105N15 and a molecular weight of 2369.83 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[c]carbazol-7-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[c]carbazol-7-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
| Compound Name | 2-benzo[c]carbazol-7-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[c]carbazol-7-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[c]carbazol-7-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 159716086 |
| Molecular Formula | C171H105N15 |
| Molecular Weight | 2369.83 g/mol |
| Exact Mass | 2367.87 |
| IUPAC Name | 2-benzo[c]carbazol-7-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[c]carbazol-7-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[c]carbazol-7-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6ccccc6c6c(-n7c8ccccc8c8c9ccccc9ccc87)c7ccccc7cc65)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9c%10ccccc%10ccc98)ccc7cc65)cc34)n2)cc1 |
| InChI | InChI=1S/3C57H35N5/c1-3-18-37(19-4-1)55-58-56(38-20-5-2-6-21-38)60-57(59-55)44-29-15-28-43-42(44)27-16-32-47(43)61-48-30-13-12-26-46(48)53-51(61)35-39-22-8-10-24-41(39)54(53)62-49-31-14-11-25-45(49)52-40-23-9-7-17-36(40)33-34-50(52)62;1-3-15-38(16-4-1)55-58-56(39-17-5-2-6-18-39)60-57(59-55)46-23-13-19-37-26-29-43(35-48(37)46)62-50-24-11-9-21-45(50)49-33-41-32-42(30-27-40(41)34-53(49)62)61-51-25-12-10-22-47(51)54-44-20-8-7-14-36(44)28-31-52(54)61;1-3-16-37(17-4-1)55-58-56(38-18-5-2-6-19-38)60-57(59-55)45-29-32-50(44-24-12-11-23-43(44)45)62-51-31-28-41(35-48(51)47-33-39-20-7-8-21-40(39)34-53(47)62)61-49-26-14-13-25-46(49)54-42-22-10-9-15-36(42)27-30-52(54)61/h3*1-35H |
| InChIKey | MZLHZEHCEXXRDI-UHFFFAOYSA-N |
| XLogP | 43.58 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2369.83 |
| LogP ≤ 5 | 43.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |