C204H129N23 — CID 157154974
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenylcarbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 157154974) has the molecular formula C204H129N23 and a molecular weight of 2902.44 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenylcarbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenylcarbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 157154974 |
| Molecular Formula | C204H129N23 |
| Molecular Weight | 2902.44 g/mol |
| Exact Mass | 2900.08 |
| IUPAC Name | 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenylcarbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1 |
| InChI | InChI=1S/C63H39N7.C57H35N7.C45H30N4.C39H25N5/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-30-16-12-26-47(55)51-38-36-49-45-24-10-14-28-53(45)67(57(49)59(51)69)43-20-6-2-7-21-43)66-63(65-61)70-56-31-17-13-27-48(56)52-39-37-50-46-25-11-15-29-54(46)68(58(50)60(52)70)44-22-8-3-9-23-44;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-4-16-31(17-5-1)43-46-44(32-18-6-2-7-19-32)48-45(47-43)39-26-13-12-24-37(39)36-23-11-10-22-35(36)33-28-29-42-40(30-33)38-25-14-15-27-41(38)49(42)34-20-8-3-9-21-34;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28/h1-39H;1-35H;1-30H;1-25H |
| InChIKey | ALRWWNHGUQIKCV-UHFFFAOYSA-N |
| XLogP | 50.22 |
| TPSA | 208.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 227 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2902.44 |
| LogP ≤ 5 | 50.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |