C278H178N34 — CID 158368930
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3,5-di(pyrimidin-2-yl)phenyl]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 158368930) has the molecular formula C278H178N34 and a molecular weight of 3994.72 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3,5-di(pyrimidin-2-yl)phenyl]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole.
| Compound Name | 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3,5-di(pyrimidin-2-yl)phenyl]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 158368930 |
| Molecular Formula | C278H178N34 |
| Molecular Weight | 3994.72 g/mol |
| Exact Mass | 3991.50 |
| IUPAC Name | 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3,5-di(pyrimidin-2-yl)phenyl]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ncccn6)cc(-c6ncccn6)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)n2)cc1 |
| InChI | InChI=1S/C53H33N9.5C45H29N5/c1-3-13-34(14-4-1)51-58-52(35-15-5-2-6-16-35)60-53(59-51)62-46-20-10-8-18-42(46)44-33-37(22-24-48(44)62)36-21-23-47-43(32-36)41-17-7-9-19-45(41)61(47)40-30-38(49-54-25-11-26-55-49)29-39(31-40)50-56-27-12-28-57-50;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-10-20-35(40)37-26-24-33(29-42(37)50)32-25-27-41-38(28-32)36-21-11-12-22-39(36)49(41)34-18-8-3-9-19-34;1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)50-38-24-12-10-21-35(38)36-28-27-32(29-41(36)50)34-23-14-26-40-42(34)37-22-11-13-25-39(37)49(40)33-19-8-3-9-20-33;1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)50-39-25-13-11-22-37(39)42-34(23-14-26-40(42)50)32-27-28-36-35-21-10-12-24-38(35)49(41(36)29-32)33-19-8-3-9-20-33;1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)50-39-25-13-11-22-36(39)42-34(23-14-26-41(42)50)32-27-28-40-37(29-32)35-21-10-12-24-38(35)49(40)33-19-8-3-9-20-33;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)38-27-25-33(29-42(38)50)32-24-26-37-35-20-10-12-22-39(35)49(41(37)28-32)34-18-8-3-9-19-34/h1-33H;5*1-29H |
| InChIKey | GUJFPIMRTYLOOM-UHFFFAOYSA-N |
| XLogP | 67.31 |
| TPSA | 342.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 312 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3994.72 |
| LogP ≤ 5 | 67.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |