C171H105N15 — CID 157209849
9-benzo[a]carbazol-11-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 157209849) has the molecular formula C171H105N15 and a molecular weight of 2369.83 g/mol. Its IUPAC name is 9-benzo[a]carbazol-11-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
| Compound Name | 9-benzo[a]carbazol-11-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 157209849 |
| Molecular Formula | C171H105N15 |
| Molecular Weight | 2369.83 g/mol |
| Exact Mass | 2367.87 |
| IUPAC Name | 9-benzo[a]carbazol-11-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6cc54)ccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccc%10ccccc%10c98)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)46-29-15-28-43-42(46)27-16-32-48(43)61-50-31-14-12-26-47(50)52-51(61)35-39-22-8-10-24-41(39)54(52)62-49-30-13-11-25-44(49)45-34-33-36-17-7-9-23-40(36)53(45)62;1-3-17-38(18-4-1)55-58-56(39-19-5-2-6-20-39)60-57(59-55)53-43-21-9-7-15-36(43)29-32-51(53)62-50-26-14-12-24-46(50)48-34-41-33-42(30-27-40(41)35-52(48)62)61-49-25-13-11-23-45(49)47-31-28-37-16-8-10-22-44(37)54(47)61;1-3-15-38(16-4-1)55-58-56(39-17-5-2-6-18-39)60-57(59-55)48-23-13-19-37-26-29-43(35-49(37)48)61-51-24-11-10-22-46(51)50-33-41-32-42(30-27-40(41)34-53(50)61)62-52-25-12-9-21-45(52)47-31-28-36-14-7-8-20-44(36)54(47)62/h3*1-35H |
| InChIKey | ARTORMBNBKLCMU-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 |