C163H101N15 — CID 158646721
1-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;6-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 158646721) has the molecular formula C163H101N15 and a molecular weight of 2269.71 g/mol. Its IUPAC name is 1-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;6-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
| Compound Name | 1-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;6-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole |
|---|---|
| PubChem CID | 158646721 |
| Molecular Formula | C163H101N15 |
| Molecular Weight | 2269.71 g/mol |
| Exact Mass | 2267.84 |
| IUPAC Name | 1-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;6-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)cccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c(-n6c7ccccc7c7ccc8ccccc8c76)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4cc5ccccc5cc43)n2)cc1 |
| InChI | InChI=1S/C57H35N5.2C53H33N5/c1-3-17-37(18-4-1)55-58-56(38-19-5-2-6-20-38)60-57(59-55)46-32-33-49(43-25-12-11-24-42(43)46)61-50-28-15-29-51(53(50)47-34-39-21-7-8-22-40(39)35-52(47)61)62-48-27-14-13-26-44(48)45-31-30-36-16-9-10-23-41(36)54(45)62;1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)37-27-30-39(31-28-37)57-46-25-13-12-24-43(46)45-33-38-20-8-10-22-41(38)49(50(45)57)58-47-26-14-11-23-42(47)44-32-29-34-15-7-9-21-40(34)48(44)58;1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)43-24-12-14-26-47(43)58-48-30-28-39(33-45(48)44-31-37-20-7-8-21-38(37)32-49(44)58)57-46-25-13-11-23-41(46)42-29-27-34-15-9-10-22-40(34)50(42)57/h1-35H;2*1-33H |
| InChIKey | IBBCKDBVYWCVRP-UHFFFAOYSA-N |
| XLogP | 41.27 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2269.71 |
| LogP ≤ 5 | 41.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |