C165H119N7 — CID 159871891
9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 159871891) has the molecular formula C165H119N7 and a molecular weight of 2199.82 g/mol. Its IUPAC name is 9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole.
| Compound Name | 9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole |
|---|---|
| PubChem CID | 159871891 |
| Molecular Formula | C165H119N7 |
| Molecular Weight | 2199.82 g/mol |
| Exact Mass | 2197.95 |
| IUPAC Name | 9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole |
| SMILES | Cc1cc(C)cc(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)c2)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(-n4c5ccc(C)cc5c5cc(C)ccc54)c3)n2)c1.c1ccc(-c2cc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)nc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)c2)cc1 |
| InChI | InChI=1S/C71H47N3.C57H43N3.C37H29N/c1-6-18-48(19-7-1)53-32-36-68-62(42-53)63-43-54(49-20-8-2-9-21-49)33-37-69(63)73(68)60-30-16-28-57(40-60)66-46-59(52-26-14-5-15-27-52)47-67(72-66)58-29-17-31-61(41-58)74-70-38-34-55(50-22-10-3-11-23-50)44-64(70)65-45-56(35-39-71(65)74)51-24-12-4-13-25-51;1-36-16-24-54-48(28-36)49-29-37(2)17-25-55(49)59(54)46-14-8-12-43(32-46)52-34-45(42-22-20-41(21-23-42)40-10-6-5-7-11-40)35-53(58-52)44-13-9-15-47(33-44)60-56-26-18-38(3)30-50(56)51-31-39(4)19-27-57(51)60;1-26-20-27(2)22-34(21-26)32-14-9-15-33(23-32)37-25-35(24-36(38-37)31-12-7-4-8-13-31)30-18-16-29(17-19-30)28-10-5-3-6-11-28/h1-47H;5-35H,1-4H3;3-25H,1-2H3 |
| InChIKey | NSLMTNLSVHFMGK-UHFFFAOYSA-N |
| XLogP | 44.16 |
| TPSA | 58.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 172 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2199.82 |
| LogP ≤ 5 | 44.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |