C255H161N21 — CID 159326922
3-[9-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 159326922) has the molecular formula C255H161N21 and a molecular weight of 3519.24 g/mol. Its IUPAC name is 3-[9-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
| Compound Name | 3-[9-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159326922 |
| Molecular Formula | C255H161N21 |
| Molecular Weight | 3519.24 g/mol |
| Exact Mass | 3516.32 |
| IUPAC Name | 3-[9-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c(-n5c6ccccc6c6ccccc65)c4)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1 |
| InChI | InChI=1S/2C87H55N7.C81H51N7/c1-3-21-57(22-4-1)85-88-86(90-87(89-85)63-25-20-28-66(52-63)93-76-35-13-7-29-68(76)69-30-8-14-36-77(69)93)62-24-19-23-58(51-62)61-43-48-67(84(55-61)94-80-39-17-9-31-70(80)71-32-10-18-40-81(71)94)56-41-46-65(47-42-56)92-79-38-16-12-34-73(79)75-54-60(45-50-83(75)92)59-44-49-82-74(53-59)72-33-11-15-37-78(72)91(82)64-26-5-2-6-27-64;1-3-21-57(22-4-1)85-88-86(90-87(89-85)63-25-20-28-66(52-63)93-76-35-13-7-29-67(76)68-30-8-14-36-77(68)93)62-24-19-23-58(51-62)59-43-48-82(94-80-39-17-9-31-69(80)70-32-10-18-40-81(70)94)73(53-59)56-41-46-65(47-42-56)92-79-38-16-12-34-72(79)75-55-61(45-50-84(75)92)60-44-49-83-74(54-60)71-33-11-15-37-78(71)91(83)64-26-5-2-6-27-64;1-3-21-52(22-4-1)79-82-80(84-81(83-79)58-25-20-28-60(48-58)86-69-35-13-7-29-61(69)62-30-8-14-36-70(62)86)57-24-19-23-53(47-57)56-43-46-77(87-72-38-16-9-31-63(72)64-32-10-17-39-73(64)87)78(51-56)88-74-40-18-12-34-66(74)68-50-55(42-45-76(68)88)54-41-44-75-67(49-54)65-33-11-15-37-71(65)85(75)59-26-5-2-6-27-59/h2*1-55H;1-51H |
| InChIKey | LEMBSSDZBOPJDK-UHFFFAOYSA-N |
| XLogP | 65.12 |
| TPSA | 175.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3519.24 |
| LogP ≤ 5 | 65.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |