C168H111N15 — CID 158997353
5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 158997353) has the molecular formula C168H111N15 and a molecular weight of 2339.84 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole.
| Compound Name | 5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 158997353 |
| Molecular Formula | C168H111N15 |
| Molecular Weight | 2339.84 g/mol |
| Exact Mass | 2337.91 |
| IUPAC Name | 5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)c2)cc1 |
| InChI | InChI=1S/2C57H37N5.C54H37N5/c1-5-17-38(18-6-1)43-31-34-45(39-19-7-2-8-20-39)52(37-43)62-50-28-16-14-26-48(50)53-51(62)36-35-47-46-25-13-15-27-49(46)61(54(47)53)44-32-29-42(30-33-44)57-59-55(40-21-9-3-10-22-40)58-56(60-57)41-23-11-4-12-24-41;1-5-17-38(18-6-1)43-35-44(39-19-7-2-8-20-39)37-46(36-43)61-51-28-16-14-26-49(51)53-52(61)34-33-48-47-25-13-15-27-50(47)62(54(48)53)45-31-29-42(30-32-45)57-59-55(40-21-9-3-10-22-40)58-56(60-57)41-23-11-4-12-24-41;1-54(2)44-22-12-9-19-39(44)40-30-29-38(33-45(40)54)58-47-24-14-11-21-43(47)49-48(58)32-31-42-41-20-10-13-23-46(41)59(50(42)49)37-27-25-36(26-28-37)53-56-51(34-15-5-3-6-16-34)55-52(57-53)35-17-7-4-8-18-35/h2*1-37H;3-33H,1-2H3 |
| InChIKey | JQXAYLLSMFDLFV-UHFFFAOYSA-N |
| XLogP | 42.17 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2339.84 |
| LogP ≤ 5 | 42.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |