C196H129N3O6 — CID 159318971
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 159318971) has the molecular formula C196H129N3O6 and a molecular weight of 2622.20 g/mol. Its IUPAC name is N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
| Compound Name | N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 159318971 |
| Molecular Formula | C196H129N3O6 |
| Molecular Weight | 2622.20 g/mol |
| Exact Mass | 2619.99 |
| IUPAC Name | N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1 |
| InChI | InChI=1S/C73H47NO2.C63H43NO2.C60H39NO2/c1-4-16-48(17-5-1)49-28-34-58(35-29-49)74(60-38-39-62-61-22-10-13-25-67(61)73(68(62)47-60,56-18-6-2-7-19-56)57-20-8-3-9-21-57)59-36-30-50(31-37-59)53-42-54(51-32-40-71-65(45-51)63-23-11-14-26-69(63)75-71)44-55(43-53)52-33-41-72-66(46-52)64-24-12-15-27-70(64)76-72;1-63(2)57-17-9-6-14-51(57)52-31-30-50(39-58(52)63)64(48-26-20-41(21-27-48)40-12-4-3-5-13-40)49-28-22-42(23-29-49)45-34-46(43-24-32-61-55(37-43)53-15-7-10-18-59(53)65-61)36-47(35-45)44-25-33-62-56(38-44)54-16-8-11-19-60(54)66-62;1-3-11-40(12-4-1)42-19-27-50(28-20-42)61(51-29-21-43(22-30-51)41-13-5-2-6-14-41)52-31-23-44(24-32-52)47-35-48(45-25-33-59-55(38-45)53-15-7-9-17-57(53)62-59)37-49(36-47)46-26-34-60-56(39-46)54-16-8-10-18-58(54)63-60/h1-47H;3-39H,1-2H3;1-39H |
| InChIKey | LDMWJKPOWBAEHV-UHFFFAOYSA-N |
| XLogP | 55.21 |
| TPSA | 88.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 205 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2622.20 |
| LogP ≤ 5 | 55.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |