C299H211N15 — CID 161042389
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;3,5-diphenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 161042389) has the molecular formula C299H211N15 and a molecular weight of 4014.08 g/mol. Its IUPAC name is N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;3,5-diphenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.
| Compound Name | N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;3,5-diphenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 161042389 |
| Molecular Formula | C299H211N15 |
| Molecular Weight | 4014.08 g/mol |
| Exact Mass | 4010.70 |
| IUPAC Name | N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline;3,5-diphenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)n6-c5ccccc5)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6nc(-c7ccccc7)n(-c7ccccc7)c56)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1 |
| InChI | InChI=1S/4C61H43N3.C55H39N3/c1-6-18-44(19-7-1)47-32-36-55(37-33-47)63(57-42-52(45-20-8-2-9-21-45)41-53(43-57)46-22-10-3-11-23-46)56-38-34-48(35-39-56)50-26-16-27-51(40-50)58-30-17-31-59-60(58)62-61(49-24-12-4-13-25-49)64(59)54-28-14-5-15-29-54;1-6-18-44(19-7-1)47-32-36-55(37-33-47)63(57-42-52(45-20-8-2-9-21-45)41-53(43-57)46-22-10-3-11-23-46)56-38-34-48(35-39-56)50-26-16-27-51(40-50)58-30-17-31-59-60(58)64(54-28-14-5-15-29-54)61(62-59)49-24-12-4-13-25-49;1-6-17-44(18-7-1)47-29-34-56(35-30-47)63(58-41-53(45-19-8-2-9-20-45)40-54(42-58)46-21-10-3-11-22-46)57-36-31-48(32-37-57)50-25-16-26-51(39-50)52-33-38-60-59(43-52)62-61(49-23-12-4-13-24-49)64(60)55-27-14-5-15-28-55;1-6-17-44(18-7-1)47-29-34-56(35-30-47)63(58-41-53(45-19-8-2-9-20-45)40-54(42-58)46-21-10-3-11-22-46)57-36-31-48(32-37-57)50-25-16-26-51(39-50)52-33-38-59-60(43-52)64(55-27-14-5-15-28-55)61(62-59)49-23-12-4-13-24-49;1-5-16-40(17-6-1)43-28-32-49(33-29-43)57(52-38-47(41-18-7-2-8-19-41)36-48(39-52)42-20-9-3-10-21-42)50-34-30-44(31-35-50)46-24-15-25-51(37-46)58-54-27-14-13-26-53(54)56-55(58)45-22-11-4-12-23-45/h4*1-43H;1-39H |
| InChIKey | UBAYFYBHHRNSHV-UHFFFAOYSA-N |
| XLogP | 80.82 |
| TPSA | 105.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4014.08 |
| LogP ≤ 5 | 80.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |