C180H127N9 — CID 158204517
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 158204517) has the molecular formula C180H127N9 and a molecular weight of 2416.06 g/mol. Its IUPAC name is N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
| Compound Name | N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline |
|---|---|
| PubChem CID | 158204517 |
| Molecular Formula | C180H127N9 |
| Molecular Weight | 2416.06 g/mol |
| Exact Mass | 2414.02 |
| IUPAC Name | N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline |
| SMILES | c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/2C60H41N3.C60H45N3/c1-4-16-44(17-5-1)51-22-10-13-25-56(51)61(49-34-28-42(29-35-49)45-32-38-59-54(40-45)52-23-11-14-26-57(52)62(59)47-18-6-2-7-19-47)50-36-30-43(31-37-50)46-33-39-60-55(41-46)53-24-12-15-27-58(53)63(60)48-20-8-3-9-21-48;1-2-14-46(15-3-1)51-16-4-9-21-56(51)61(47-34-26-42(27-35-47)44-30-38-49(39-31-44)62-57-22-10-5-17-52(57)53-18-6-11-23-58(53)62)48-36-28-43(29-37-48)45-32-40-50(41-33-45)63-59-24-12-7-19-54(59)55-20-8-13-25-60(55)63;1-6-18-50(19-7-1)59-28-16-17-29-60(59)63(57-42-34-48(35-43-57)46-30-38-55(39-31-46)61(51-20-8-2-9-21-51)52-22-10-3-11-23-52)58-44-36-49(37-45-58)47-32-40-56(41-33-47)62(53-24-12-4-13-25-53)54-26-14-5-15-27-54/h2*1-41H;1-45H |
| InChIKey | GBIIWZWWYRQSOI-UHFFFAOYSA-N |
| XLogP | 49.80 |
| TPSA | 35.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 189 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2416.06 |
| LogP ≤ 5 | 49.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |