C159H101N17 — CID 161157512
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole (PubChem CID 161157512) has the molecular formula C159H101N17 and a molecular weight of 2249.68 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole.
| Compound Name | 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 161157512 |
| Molecular Formula | C159H101N17 |
| Molecular Weight | 2249.68 g/mol |
| Exact Mass | 2247.84 |
| IUPAC Name | 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc5c4[nH]c4c5ccc5c6ccccc6n(-c6ccccc6)c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1 |
| InChI | InChI=1S/C63H39N7.C51H33N5.C45H29N5/c1-4-17-39(18-5-1)40-31-33-41(34-32-40)61-65-62(52-27-16-26-47-48-35-36-49-44-23-10-13-28-53(44)68(42-19-6-2-7-20-42)58(49)57(48)64-56(47)52)67-63(66-61)70-55-30-15-12-25-46(55)51-38-37-50-45-24-11-14-29-54(45)69(59(50)60(51)70)43-21-8-3-9-22-43;1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34/h1-38,64H;1-33H;1-29H |
| InChIKey | UPMJJIMTODIYMQ-UHFFFAOYSA-N |
| XLogP | 39.60 |
| TPSA | 166.31 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2249.68 |
| LogP ≤ 5 | 39.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |