C244H172N4O2S2 — CID 161200846
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-4-amine;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-(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 161200846) has the molecular formula C244H172N4O2S2 and a molecular weight of 3256.22 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-4-amine;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-(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-phenyldibenzofuran-4-amine;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-(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 | 161200846 |
| Molecular Formula | C244H172N4O2S2 |
| Molecular Weight | 3256.22 g/mol |
| Exact Mass | 3253.29 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-4-amine;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-(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(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc21 |
| InChI | InChI=1S/C64H45NO.C64H45NS.C58H41NO.C58H41NS/c2*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;2*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/h2*3-41H,1-2H3;2*3-37H,1-2H3 |
| InChIKey | UUYNFTBEKFKRSV-UHFFFAOYSA-N |
| XLogP | 65.84 |
| TPSA | 39.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 252 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3256.22 |
| LogP ≤ 5 | 65.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |