C270H185N11O7 — CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline (PubChem CID 167553634) has the molecular formula C270H185N11O7 and a molecular weight of 3695.52 g/mol. Its IUPAC name is 1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline.
| Compound Name | 1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 167553634 |
| Molecular Formula | C270H185N11O7 |
| Molecular Weight | 3695.52 g/mol |
| Exact Mass | 3692.45 |
| IUPAC Name | 1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline |
| SMILES | c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C84H58N4O2.C66H47N3O.C66H44N2O2.C54H36N2O2/c1-5-19-63(20-6-1)85(71-51-55-73(56-52-71)87(65-23-9-3-10-24-65)69-47-39-61(40-48-69)75-29-17-31-79-77-27-13-15-33-81(77)89-83(75)79)67-43-35-59(36-44-67)60-37-45-68(46-38-60)86(64-21-7-2-8-22-64)72-53-57-74(58-54-72)88(66-25-11-4-12-26-66)70-49-41-62(42-50-70)76-30-18-32-80-78-28-14-16-34-82(78)90-84(76)80;1-5-16-53(17-6-1)67(54-18-7-2-8-19-54)57-38-28-48(29-39-57)50-32-42-59(43-33-50)69(61-46-36-52(37-47-61)62-25-15-26-64-63-24-13-14-27-65(63)70-66(62)64)60-44-34-51(35-45-60)49-30-40-58(41-31-49)68(55-20-9-3-10-21-55)56-22-11-4-12-23-56;1-3-13-51(14-4-1)67(55-41-33-49(34-42-55)57-19-11-21-61-59-17-7-9-23-63(59)69-65(57)61)53-37-29-47(30-38-53)45-25-27-46(28-26-45)48-31-39-54(40-32-48)68(52-15-5-2-6-16-52)56-43-35-50(36-44-56)58-20-12-22-62-60-18-8-10-24-64(60)70-66(58)62;1-3-13-39(14-4-1)55(41-29-25-37(26-30-41)45-19-11-21-49-47-17-7-9-23-51(47)57-53(45)49)43-33-35-44(36-34-43)56(40-15-5-2-6-16-40)42-31-27-38(28-32-42)46-20-12-22-50-48-18-8-10-24-52(48)58-54(46)50/h1-58H;1-47H;1-44H;1-36H |
| InChIKey | CSMZMOMJBYPLPA-UHFFFAOYSA-N |
| XLogP | 78.21 |
| TPSA | 127.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3695.52 |
| LogP ≤ 5 | 78.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |