C290H215N19O2 — CID 165025894
4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (PubChem CID 165025894) has the molecular formula C290H215N19O2 and a molecular weight of 3998.04 g/mol. Its IUPAC name is 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine.
| Compound Name | 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine |
|---|---|
| PubChem CID | 165025894 |
| Molecular Formula | C290H215N19O2 |
| Molecular Weight | 3998.04 g/mol |
| Exact Mass | 3994.73 |
| IUPAC Name | 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine |
| SMILES | CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.Cc1ccc2ccccc2c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1 |
| InChI | InChI=1S/C57H42N6.C52H36N2.C49H40N4O2.C46H36N2.C44H32N2.C42H29N3/c1-7-19-46(20-8-1)61(47-21-9-2-10-22-47)52-37-31-43(32-38-52)55-58-56(44-33-39-53(40-34-44)62(48-23-11-3-12-24-48)49-25-13-4-14-26-49)60-57(59-55)45-35-41-54(42-36-45)63(50-27-15-5-16-28-50)51-29-17-6-18-30-51;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-33-21-23-37-13-9-11-19-43(37)45(33)47(39-15-5-3-6-16-39)41-29-25-35(26-30-41)36-27-31-42(32-28-36)48(40-17-7-4-8-18-40)46-34(2)22-24-38-14-10-12-20-44(38)46;1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44;1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-42H;1-36H;7-28H,1-6H3;3-32H,1-2H3;1-32H;1-29H |
| InChIKey | LWLDNQJUEMNZKY-UHFFFAOYSA-N |
| XLogP | 79.41 |
| TPSA | 158.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 311 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3998.04 |
| LogP ≤ 5 | 79.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |