C336H222N14O13 — CID 157328042
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 157328042) has the molecular formula C336H222N14O13 and a molecular weight of 4663.56 g/mol. Its IUPAC name is N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine.
| Compound Name | N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine |
|---|---|
| PubChem CID | 157328042 |
| Molecular Formula | C336H222N14O13 |
| Molecular Weight | 4663.56 g/mol |
| Exact Mass | 4659.71 |
| IUPAC Name | N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)cc(N(c1ccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccc3oc4ccccc4c3c1)c1ccccc12 |
| InChI | InChI=1S/C64H40N2O2.C62H42N2O.5C42H28N2O2/c1-3-15-49-43(13-1)37-59(53-19-7-5-17-51(49)53)65(47-33-35-63-57(39-47)55-21-9-11-23-61(55)67-63)45-29-25-41(26-30-45)42-27-31-46(32-28-42)66(48-34-36-64-58(40-48)56-22-10-12-24-62(56)68-64)60-38-44-14-2-4-16-50(44)52-18-6-8-20-54(52)60;1-3-13-43(14-4-1)45-23-31-50(32-24-45)63(51-33-25-46(26-34-51)44-15-5-2-6-16-44)52-35-27-47(28-36-52)48-29-37-53(38-30-48)64(54-39-40-62-59(42-54)58-21-11-12-22-61(58)65-62)60-41-49-17-7-8-18-55(49)56-19-9-10-20-57(56)60;1-3-14-29(15-4-1)43(37-24-12-22-35-33-20-7-9-26-39(33)45-41(35)37)31-18-11-19-32(28-31)44(30-16-5-2-6-17-30)38-25-13-23-36-34-21-8-10-27-40(34)46-42(36)38;1-3-13-29(14-4-1)43(37-21-11-19-35-33-17-7-9-23-39(33)45-41(35)37)31-25-27-32(28-26-31)44(30-15-5-2-6-16-30)38-22-12-20-36-34-18-8-10-24-40(34)46-42(36)38;1-3-12-29(13-4-1)43(33-22-24-41-37(27-33)35-18-7-9-20-39(35)45-41)31-16-11-17-32(26-31)44(30-14-5-2-6-15-30)34-23-25-42-38(28-34)36-19-8-10-21-40(36)46-42;1-3-12-29(13-4-1)43(33-22-24-37-35-18-7-9-20-39(35)45-41(37)27-33)31-16-11-17-32(26-31)44(30-14-5-2-6-15-30)34-23-25-38-36-19-8-10-21-40(36)46-42(38)28-34;1-3-11-29(12-4-1)43(33-23-25-37-35-15-7-9-17-39(35)45-41(37)27-33)31-19-21-32(22-20-31)44(30-13-5-2-6-14-30)34-24-26-38-36-16-8-10-18-40(36)46-42(38)28-34/h1-40H;1-42H;5*1-28H |
| InChIKey | BEYOPQDAXQKKIW-UHFFFAOYSA-N |
| XLogP | 98.66 |
| TPSA | 216.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 363 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4663.56 |
| LogP ≤ 5 | 98.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |