C268H174N24 — CID 161289745
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 161289745) has the molecular formula C268H174N24 and a molecular weight of 3730.51 g/mol. Its IUPAC name is 2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
| Compound Name | 2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 161289745 |
| Molecular Formula | C268H174N24 |
| Molecular Weight | 3730.51 g/mol |
| Exact Mass | 3727.44 |
| IUPAC Name | 2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1 |
| InChI | InChI=1S/2C56H36N6.3C52H34N4/c1-5-17-37(18-6-1)47-35-53(59-55(57-47)39-21-9-3-10-22-39)61-50-28-16-14-26-44(50)46-33-41(30-32-51(46)61)42-29-31-45-43-25-13-15-27-49(43)62(52(45)34-42)54-36-48(38-19-7-2-8-20-38)58-56(60-54)40-23-11-4-12-24-40;1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)59-56(58-47)62-51-28-16-14-26-44(51)46-33-41(30-32-52(46)62)42-29-31-45-43-25-13-15-27-50(43)61(53(45)34-42)54-36-49(39-21-9-3-10-22-39)57-55(60-54)40-23-11-4-12-24-40;1-4-14-35(15-5-1)46-34-47(54-52(53-46)37-16-6-2-7-17-37)36-24-28-41(29-25-36)55-49-23-13-11-21-43(49)45-32-38(27-31-50(45)55)39-26-30-44-42-20-10-12-22-48(42)56(51(44)33-39)40-18-8-3-9-19-40;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-48-22-12-10-20-42(48)44-30-26-40(33-51(44)55)39-27-31-50-45(32-39)43-21-11-13-23-49(43)56(50)52-53-46(37-16-6-2-7-17-37)34-47(54-52)38-18-8-3-9-19-38;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-10-20-42(47)44-30-26-40(33-50(44)55)39-27-31-49-45(32-39)43-21-11-13-23-48(43)56(49)51-34-46(37-16-6-2-7-17-37)53-52(54-51)38-18-8-3-9-19-38/h2*1-36H;3*1-34H |
| InChIKey | VGESKWQUKWWJDW-UHFFFAOYSA-N |
| XLogP | 67.61 |
| TPSA | 229.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3730.51 |
| LogP ≤ 5 | 67.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |