C188H133N9O2 — CID 159339591
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (PubChem CID 159339591) has the molecular formula C188H133N9O2 and a molecular weight of 2550.19 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.
| Compound Name | 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine |
|---|---|
| PubChem CID | 159339591 |
| Molecular Formula | C188H133N9O2 |
| Molecular Weight | 2550.19 g/mol |
| Exact Mass | 2548.06 |
| IUPAC Name | 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21.c1ccc(N(c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1 |
| InChI | InChI=1S/2C63H45N3O.C62H43N3/c1-63(2)56-29-15-12-25-50(56)51-35-34-47(41-57(51)63)64(44-19-6-3-7-20-44)48-37-43(42-33-36-59-55(39-42)52-26-13-16-30-58(52)66(59)46-23-10-5-11-24-46)38-49(40-48)65(45-21-8-4-9-22-45)60-31-18-28-54-53-27-14-17-32-61(53)67-62(54)60;1-63(2)57-27-15-12-24-51(57)52-33-31-48(41-58(52)63)65(45-20-8-4-9-21-45)50-37-43(42-30-34-60-55(38-42)53-25-13-16-28-59(53)66(60)46-22-10-5-11-23-46)36-49(39-50)64(44-18-6-3-7-19-44)47-32-35-62-56(40-47)54-26-14-17-29-61(54)67-62;1-4-21-51(22-5-1)63(54-37-35-44-17-10-11-19-48(44)39-54)55-40-50(41-56(43-55)64(52-23-6-2-7-24-52)60-30-16-20-47-18-12-13-27-57(47)60)46-33-31-45(32-34-46)49-36-38-62-59(42-49)58-28-14-15-29-61(58)65(62)53-25-8-3-9-26-53/h2*3-41H,1-2H3;1-43H |
| InChIKey | LFYWQRZVVNEPAF-UHFFFAOYSA-N |
| XLogP | 52.56 |
| TPSA | 60.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2550.19 |
| LogP ≤ 5 | 52.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |