C261H162N24 — CID 158305349
3-[9-[9-[2-carbazol-9-yl-4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazol-3-yl]-9-phenylcarbazole;4-[9-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 158305349) has the molecular formula C261H162N24 and a molecular weight of 3634.33 g/mol. Its IUPAC name is 3-[9-[9-[2-carbazol-9-yl-4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazol-3-yl]-9-phenylcarbazole;4-[9-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 3-[9-[9-[2-carbazol-9-yl-4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazol-3-yl]-9-phenylcarbazole;4-[9-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 158305349 |
| Molecular Formula | C261H162N24 |
| Molecular Weight | 3634.33 g/mol |
| Exact Mass | 3631.34 |
| IUPAC Name | 3-[9-[9-[2-carbazol-9-yl-4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazol-3-yl]-9-phenylcarbazole;4-[9-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-(9-phenylcarbazol-3-yl)carbazole |
| SMILES | c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(-c8cccc9c8c8ccccc8n9-c8ccccc8)ccc76)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)n2)cc1 |
| InChI | InChI=1S/3C87H54N8/c1-3-22-55(23-4-1)85-88-86(58-24-21-27-61(50-58)92-73-35-14-7-28-63(73)64-29-8-15-36-74(64)92)90-87(89-85)59-44-48-82(94-77-39-18-9-30-65(77)66-31-10-19-40-78(66)94)84(53-59)95-79-41-20-11-32-67(79)70-46-42-57(52-83(70)95)56-43-47-80-71(51-56)68-33-12-17-38-76(68)93(80)62-45-49-81-72(54-62)69-34-13-16-37-75(69)91(81)60-25-5-2-6-26-60;1-3-22-55(23-4-1)85-88-86(58-24-21-27-61(50-58)92-73-35-14-7-28-63(73)64-29-8-15-36-74(64)92)90-87(89-85)59-44-49-82(84(53-59)94-77-39-18-9-30-65(77)66-31-10-19-40-78(66)94)95-79-41-20-11-32-67(79)70-46-45-62(54-83(70)95)93-76-38-17-13-34-69(76)72-52-57(43-48-81(72)93)56-42-47-80-71(51-56)68-33-12-16-37-75(68)91(80)60-25-5-2-6-26-60;1-3-23-55(24-4-1)85-88-86(57-25-21-28-60(51-57)92-72-37-14-7-29-63(72)64-30-8-15-38-73(64)92)90-87(89-85)58-46-49-81(94-75-40-17-9-31-65(75)66-32-10-18-41-76(66)94)83(53-58)95-77-42-19-12-34-68(77)71-54-61(47-50-80(71)95)93-74-39-16-11-33-67(74)70-52-56(45-48-79(70)93)62-36-22-44-82-84(62)69-35-13-20-43-78(69)91(82)59-26-5-2-6-27-59/h3*1-54H |
| InChIKey | GNABSDAGJNIWHD-UHFFFAOYSA-N |
| XLogP | 66.08 |
| TPSA | 189.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 285 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3634.33 |
| LogP ≤ 5 | 66.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |