C201H141N15 — CID 162157887
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]carbazole (PubChem CID 162157887) has the molecular formula C201H141N15 and a molecular weight of 2766.44 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]carbazole |
|---|---|
| PubChem CID | 162157887 |
| Molecular Formula | C201H141N15 |
| Molecular Weight | 2766.44 g/mol |
| Exact Mass | 2764.15 |
| IUPAC Name | 3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]carbazole |
| SMILES | Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C)c2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c(C)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2C)cc1 |
| InChI | InChI=1S/3C67H47N5/c1-42-22-32-63-55(36-42)56-37-43(2)23-33-64(56)72(63)51-30-35-66-58(40-51)57-39-50(71-61-20-12-10-18-53(61)54-19-11-13-21-62(54)71)29-34-65(57)70(66)49-27-24-45(25-28-49)52-31-26-48(38-44(52)3)60-41-59(46-14-6-4-7-15-46)68-67(69-60)47-16-8-5-9-17-47;1-42-22-32-63-55(36-42)56-37-43(2)23-33-64(56)72(63)51-30-35-66-58(40-51)57-39-50(71-61-20-12-10-18-53(61)54-19-11-13-21-62(54)71)29-34-65(57)70(66)49-27-24-45(25-28-49)48-26-31-52(44(3)38-48)60-41-59(46-14-6-4-7-15-46)68-67(69-60)47-16-8-5-9-17-47;1-42-22-32-63-55(36-42)56-37-43(2)23-33-64(56)72(63)51-30-35-66-58(40-51)57-39-50(71-61-20-12-10-18-53(61)54-19-11-13-21-62(54)71)29-34-65(57)70(66)49-28-31-52(44(3)38-49)45-24-26-47(27-25-45)60-41-59(46-14-6-4-7-15-46)68-67(69-60)48-16-8-5-9-17-48/h3*4-41H,1-3H3 |
| InChIKey | ZMBOBSPMIVAABA-UHFFFAOYSA-N |
| XLogP | 52.08 |
| TPSA | 121.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2766.44 |
| LogP ≤ 5 | 52.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |