C232H164N4O2S2 — CID 161432391
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 161432391) has the molecular formula C232H164N4O2S2 and a molecular weight of 3104.02 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.
| Compound Name | N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine |
|---|---|
| PubChem CID | 161432391 |
| Molecular Formula | C232H164N4O2S2 |
| Molecular Weight | 3104.02 g/mol |
| Exact Mass | 3101.23 |
| IUPAC Name | N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21 |
| InChI | InChI=1S/2C58H41NO.2C58H41NS/c1-57(2)49-29-12-9-24-44(49)45-35-34-42(37-52(45)57)59(41-23-15-18-38(36-41)43-27-16-28-47-46-25-11-14-33-54(46)60-56(43)47)53-32-17-31-51-55(53)48-26-10-13-30-50(48)58(51,39-19-5-3-6-20-39)40-21-7-4-8-22-40;1-57(2)49-26-12-9-23-44(49)45-33-32-43(37-52(45)57)59(42-22-15-17-38(35-42)39-31-34-55-48(36-39)46-24-11-14-30-54(46)60-55)53-29-16-28-51-56(53)47-25-10-13-27-50(47)58(51,40-18-5-3-6-19-40)41-20-7-4-8-21-41;1-57(2)49-29-12-9-24-44(49)45-35-34-42(37-52(45)57)59(41-23-15-18-38(36-41)43-27-16-28-47-46-25-11-14-33-54(46)60-56(43)47)53-32-17-31-51-55(53)48-26-10-13-30-50(48)58(51,39-19-5-3-6-20-39)40-21-7-4-8-22-40;1-57(2)49-26-12-9-23-44(49)45-33-32-43(37-52(45)57)59(42-22-15-17-38(35-42)39-31-34-55-48(36-39)46-24-11-14-30-54(46)60-55)53-29-16-28-51-56(53)47-25-10-13-27-50(47)58(51,40-18-5-3-6-19-40)41-20-7-4-8-21-41/h4*3-37H,1-2H3 |
| InChIKey | VYERDGBVRAJSLN-UHFFFAOYSA-N |
| XLogP | 62.51 |
| TPSA | 39.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3104.02 |
| LogP ≤ 5 | 62.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |