C232H156N4O2S2 — CID 157394349
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 157394349) has the molecular formula C232H156N4O2S2 and a molecular weight of 3095.96 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 157394349 |
| Molecular Formula | C232H156N4O2S2 |
| Molecular Weight | 3095.96 g/mol |
| Exact Mass | 3093.17 |
| IUPAC Name | N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccc4oc5ccccc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccc4sc5ccccc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21 |
| InChI | InChI=1S/2C58H39NO.2C58H39NS/c1-57(2)48-21-9-3-16-40(48)44-30-28-37(34-52(44)57)59(54-25-13-7-15-39(54)36-27-32-56-47(33-36)46-20-8-14-26-55(46)60-56)38-29-31-45-43-19-6-12-24-51(43)58(53(45)35-38)49-22-10-4-17-41(49)42-18-5-11-23-50(42)58;1-57(2)49-24-8-3-17-41(49)45-31-29-38(34-53(45)57)59(37-16-13-15-36(33-37)40-22-14-23-48-47-21-7-12-28-55(47)60-56(40)48)39-30-32-46-44-20-6-11-27-52(44)58(54(46)35-39)50-25-9-4-18-42(50)43-19-5-10-26-51(43)58;1-57(2)48-21-9-3-16-40(48)44-30-28-37(34-52(44)57)59(54-25-13-7-15-39(54)36-27-32-56-47(33-36)46-20-8-14-26-55(46)60-56)38-29-31-45-43-19-6-12-24-51(43)58(53(45)35-38)49-22-10-4-17-41(49)42-18-5-11-23-50(42)58;1-57(2)49-24-8-3-17-41(49)45-31-29-38(34-53(45)57)59(37-16-13-15-36(33-37)40-22-14-23-48-47-21-7-12-28-55(47)60-56(40)48)39-30-32-46-44-20-6-11-27-52(44)58(54(46)35-39)50-25-9-4-18-42(50)43-19-5-10-26-51(43)58/h4*3-35H,1-2H3 |
| InChIKey | BMJVFSHZVHAYHH-UHFFFAOYSA-N |
| XLogP | 62.43 |
| TPSA | 39.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3095.96 |
| LogP ≤ 5 | 62.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |