C189H117N21 — CID 163926975
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 163926975) has the molecular formula C189H117N21 and a molecular weight of 2682.16 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
| Compound Name | 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 163926975 |
| Molecular Formula | C189H117N21 |
| Molecular Weight | 2682.16 g/mol |
| Exact Mass | 2679.98 |
| IUPAC Name | 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)c6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1 |
| InChI | InChI=1S/C69H43N7.C63H39N7.C57H35N7/c1-4-20-44(21-5-1)67-70-68(45-22-18-28-49(42-45)75-61-36-16-12-32-53(61)57-40-38-55-51-30-10-14-34-59(51)73(63(55)65(57)75)47-24-6-2-7-25-47)72-69(71-67)46-23-19-29-50(43-46)76-62-37-17-13-33-54(62)58-41-39-56-52-31-11-15-35-60(52)74(64(56)66(58)76)48-26-8-3-9-27-48;1-4-19-40(20-5-1)61-64-62(41-21-6-2-7-22-41)66-63(65-61)70-56-34-17-13-30-48(56)52-38-37-51-47-29-12-16-33-55(47)69(59(51)60(52)70)44-26-18-25-43(39-44)68-54-32-15-11-28-46(54)50-36-35-49-45-27-10-14-31-53(45)67(57(49)58(50)68)42-23-8-3-9-24-42;1-4-18-36(19-5-1)55-58-56(63-49-30-16-13-27-42(49)46-34-51-45(35-52(46)63)41-26-12-14-28-47(41)61(51)37-20-6-2-7-21-37)60-57(59-55)64-50-31-17-11-25-40(50)44-33-32-43-39-24-10-15-29-48(39)62(53(43)54(44)64)38-22-8-3-9-23-38/h1-43H;1-39H;1-35H |
| InChIKey | RFIOKJSOYMVZHF-UHFFFAOYSA-N |
| XLogP | 46.78 |
| TPSA | 175.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2682.16 |
| LogP ≤ 5 | 46.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |