C162H103N19 — CID 157125538
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 157125538) has the molecular formula C162H103N19 and a molecular weight of 2315.74 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 157125538 |
| Molecular Formula | C162H103N19 |
| Molecular Weight | 2315.74 g/mol |
| Exact Mass | 2313.86 |
| IUPAC Name | 3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1 |
| InChI | InChI=1S/C68H43N7.C50H32N6.C44H28N6/c1-4-15-44(16-5-1)66-70-67(45-35-37-69-38-36-45)72-68(71-66)50-17-14-22-53(39-50)75-64-33-29-48(46-27-31-62-56(40-46)54-23-10-12-25-60(54)73(62)51-18-6-2-7-19-51)42-58(64)59-43-49(30-34-65(59)75)47-28-32-63-57(41-47)55-24-11-13-26-61(55)74(63)52-20-8-3-9-21-52;1-3-12-33(13-4-1)48-52-49(34-26-28-51-29-27-34)54-50(53-48)37-14-11-17-39(30-37)56-45-21-10-8-19-41(45)43-32-36(23-25-47(43)56)35-22-24-46-42(31-35)40-18-7-9-20-44(40)55(46)38-15-5-2-6-16-38;1-2-9-28(10-3-1)42-47-43(29-21-23-45-24-22-29)49-44(48-42)32-11-8-12-33(25-32)50-40-16-7-5-14-35(40)37-27-31(18-20-41(37)50)30-17-19-39-36(26-30)34-13-4-6-15-38(34)46-39/h1-43H;1-32H;1-27,46H |
| InChIKey | AILSTHKTZBGPJB-UHFFFAOYSA-N |
| XLogP | 39.69 |
| TPSA | 200.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2315.74 |
| LogP ≤ 5 | 39.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 18 |