C120H72N8O — CID 167259999
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole (PubChem CID 167259999) has the molecular formula C120H72N8O and a molecular weight of 1641.95 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole.
| Compound Name | 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole |
|---|---|
| PubChem CID | 167259999 |
| Molecular Formula | C120H72N8O |
| Molecular Weight | 1641.95 g/mol |
| Exact Mass | 1640.58 |
| IUPAC Name | 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole |
| SMILES | c1ccc(-n2c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc6c5c4)cc32)cc1 |
| InChI | InChI=1S/C120H72N8O/c1-3-25-76(26-4-1)121-107-45-22-14-36-93(107)120-114(121)47-24-48-115(120)128-105-43-20-12-34-89(105)97-69-80(55-63-112(97)128)124-102-40-17-9-31-86(102)94-65-73(51-59-108(94)124)74-49-58-91-99-72-82(56-64-117(99)129-118(91)67-74)126-104-42-19-11-33-88(104)96-71-81(54-62-111(96)126)127-106-44-21-13-35-92(106)119-83(37-23-46-113(119)127)75-50-57-90-98-70-79(52-60-109(98)122(116(90)66-75)77-27-5-2-6-28-77)125-103-41-18-10-32-87(103)95-68-78(53-61-110(95)125)123-100-38-15-7-29-84(100)85-30-8-16-39-101(85)123/h1-72H |
| InChIKey | BIJJVBUHPNNQRI-UHFFFAOYSA-N |
| XLogP | 31.70 |
| TPSA | 52.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 129 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1641.95 |
| LogP ≤ 5 | 31.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |