C168H135N3O5 — CID 164954415
1-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine;6-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine;7-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 164954415) has the molecular formula C168H135N3O5 and a molecular weight of 2275.94 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine;6-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine;7-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.
| Compound Name | 1-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine;6-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine;7-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine |
|---|---|
| PubChem CID | 164954415 |
| Molecular Formula | C168H135N3O5 |
| Molecular Weight | 2275.94 g/mol |
| Exact Mass | 2274.04 |
| IUPAC Name | 1-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine;6-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine;7-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2cc(N(c3c(-c4ccc5c(c4)oc4ccccc45)ccc4ccccc34)c3ccc(C4CCCCC4)c4c3oc3ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(C5CCCCC5)ccc3-4)c3c(-c4ccc5c(c4)oc4ccccc45)ccc4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(C5CCCCC5)cccc34)c3c(-c4ccc5c(c4)oc4ccccc45)ccc4ccccc34)cc21 |
| InChI | InChI=1S/C58H49NO.2C55H43NO2/c1-57(2)50-20-12-10-18-44(50)49-34-40(26-31-51(49)57)59(41-25-30-46-45-28-23-38(36-14-6-5-7-15-36)32-52(45)58(3,4)53(46)35-41)56-42-17-9-8-16-37(42)22-27-43(56)39-24-29-48-47-19-11-13-21-54(47)60-55(48)33-39;1-55(2)46-21-11-8-18-41(46)45-33-37(26-30-47(45)55)56(48-31-29-38(34-14-4-3-5-15-34)52-44-20-10-13-23-50(44)58-54(48)52)53-39-17-7-6-16-35(39)24-27-40(53)36-25-28-43-42-19-9-12-22-49(42)57-51(43)32-36;1-55(2)48-21-10-8-17-42(48)43-29-25-37(32-49(43)55)56(38-26-30-46-47-20-12-19-41(34-13-4-3-5-14-34)54(47)58-52(46)33-38)53-39-16-7-6-15-35(39)23-27-40(53)36-24-28-45-44-18-9-11-22-50(44)57-51(45)31-36/h8-13,16-36H,5-7,14-15H2,1-4H3;6-13,16-34H,3-5,14-15H2,1-2H3;6-12,15-34H,3-5,13-14H2,1-2H3 |
| InChIKey | AZAJLGRJRXKMJQ-UHFFFAOYSA-N |
| XLogP | 48.80 |
| TPSA | 75.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 176 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2275.94 |
| LogP ≤ 5 | 48.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |