C249H168N8O8 — CID 157103465
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 157103465) has the molecular formula C249H168N8O8 and a molecular weight of 3400.13 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.
| Compound Name | 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine |
|---|---|
| PubChem CID | 157103465 |
| Molecular Formula | C249H168N8O8 |
| Molecular Weight | 3400.13 g/mol |
| Exact Mass | 3397.30 |
| IUPAC Name | 4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine |
| SMILES | CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1 |
| InChI | InChI=1S/C72H48N2O2.C63H44N2O2.C60H40N2O2.C54H36N2O2/c1-3-12-49(13-4-1)51-22-35-58(36-23-51)73(59-37-24-52(25-38-59)50-14-5-2-6-15-50)60-39-26-53(27-40-60)54-28-41-61(42-29-54)74(62-43-30-55(31-44-62)57-34-47-67-65-16-7-9-20-69(65)75-71(67)48-57)63-45-32-56(33-46-63)64-18-11-19-68-66-17-8-10-21-70(66)76-72(64)68;1-63(2)57-39-48(64(44-14-5-3-6-15-44)45-16-7-4-8-17-45)33-36-51(57)52-37-34-49(40-58(52)63)65(46-29-24-41(25-30-46)43-28-35-55-53-18-9-11-22-59(53)66-61(55)38-43)47-31-26-42(27-32-47)50-20-13-21-56-54-19-10-12-23-60(54)67-62(50)56;1-3-12-46(13-4-1)61(47-14-5-2-6-15-47)48-31-22-41(23-32-48)42-24-33-49(34-25-42)62(50-35-26-43(27-36-50)45-30-39-55-53-16-7-9-20-57(53)63-59(55)40-45)51-37-28-44(29-38-51)52-18-11-19-56-54-17-8-10-21-58(54)64-60(52)56;1-3-12-40(13-4-1)55(41-14-5-2-6-15-41)44-31-33-45(34-32-44)56(42-27-22-37(23-28-42)39-26-35-49-47-16-7-9-20-51(47)57-53(49)36-39)43-29-24-38(25-30-43)46-18-11-19-50-48-17-8-10-21-52(48)58-54(46)50/h1-48H;3-40H,1-2H3;1-40H;1-36H |
| InChIKey | AGAMHYVFMDBMBZ-UHFFFAOYSA-N |
| XLogP | 72.01 |
| TPSA | 131.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 265 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3400.13 |
| LogP ≤ 5 | 72.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |