C250H176N4O2S2 — CID 162178464
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzothiophen-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-2-amine (PubChem CID 162178464) has the molecular formula C250H176N4O2S2 and a molecular weight of 3332.32 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzothiophen-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-2-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzothiophen-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 162178464 |
| Molecular Formula | C250H176N4O2S2 |
| Molecular Weight | 3332.32 g/mol |
| Exact Mass | 3329.32 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzothiophen-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccc(-c7ccccc7)cc6c5c4)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc21 |
| InChI | InChI=1S/2C64H45NO.C64H45NS.C58H41NS/c1-63(2)55-31-14-12-25-50(55)51-40-39-47(41-58(51)63)65(46-37-35-43(36-38-46)49-28-17-30-53-52-29-16-27-48(61(52)66-62(49)53)42-19-6-3-7-20-42)59-34-18-33-57-60(59)54-26-13-15-32-56(54)64(57,44-21-8-4-9-22-44)45-23-10-5-11-24-45;2*1-63(2)55-25-14-12-23-50(55)51-36-35-49(41-58(51)63)65(48-33-29-43(30-34-48)45-32-38-61-54(40-45)53-39-44(31-37-60(53)66-61)42-17-6-3-7-18-42)59-28-16-27-57-62(59)52-24-13-15-26-56(52)64(57,46-19-8-4-9-20-46)47-21-10-5-11-22-47;1-57(2)48-30-14-12-25-43(48)44-36-35-41(37-51(44)57)59(53-34-17-29-46-45-28-16-27-42(55(45)60-56(46)53)38-19-6-3-7-20-38)52-33-18-32-50-54(52)47-26-13-15-31-49(47)58(50,39-21-8-4-9-22-39)40-23-10-5-11-24-40/h3*3-41H,1-2H3;3-37H,1-2H3 |
| InChIKey | ZORZBLXAUNKAST-UHFFFAOYSA-N |
| XLogP | 67.51 |
| TPSA | 39.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 258 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3332.32 |
| LogP ≤ 5 | 67.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |