C222H142N18 — CID 167680798
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 167680798) has the molecular formula C222H142N18 and a molecular weight of 3061.70 g/mol. Its IUPAC name is 2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
| Compound Name | 2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 167680798 |
| Molecular Formula | C222H142N18 |
| Molecular Weight | 3061.70 g/mol |
| Exact Mass | 3059.17 |
| IUPAC Name | 2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)ccc54)cc3)n2)cc1 |
| InChI | InChI=1S/2C56H36N4.2C55H35N5/c1-3-15-38(16-4-1)49-36-50(39-17-5-2-6-18-39)58-56(57-49)40-26-30-43(31-27-40)59-52-23-11-10-22-46(52)48-34-41(29-33-54(48)59)42-28-32-47-45-21-9-12-24-53(45)60(55(47)35-42)51-25-13-19-37-14-7-8-20-44(37)51;1-3-14-39(15-4-1)56-57-50(36-51(58-56)43-24-23-37-13-7-8-16-40(37)33-43)38-25-29-45(30-26-38)59-53-22-12-10-20-47(53)49-34-41(28-32-54(49)59)42-27-31-48-46-19-9-11-21-52(46)60(55(48)35-42)44-17-5-2-6-18-44;1-3-15-37(16-4-1)53-56-54(38-17-5-2-6-18-38)58-55(57-53)39-26-30-42(31-27-39)59-49-23-11-10-22-45(49)47-34-40(29-33-51(47)59)41-28-32-46-44-21-9-12-24-50(44)60(52(46)35-41)48-25-13-19-36-14-7-8-20-43(36)48;1-3-14-37(15-4-1)53-56-54(38-16-5-2-6-17-38)58-55(57-53)39-24-28-43(29-25-39)59-50-22-12-10-20-46(50)48-34-41(27-32-51(48)59)42-26-31-47-45-19-9-11-21-49(45)60(52(47)35-42)44-30-23-36-13-7-8-18-40(36)33-44/h2*1-36H;2*1-35H |
| InChIKey | VMYZGTRSSFGOPA-UHFFFAOYSA-N |
| XLogP | 56.76 |
| TPSA | 168.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3061.70 |
| LogP ≤ 5 | 56.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |