C186H117N21 — CID 159679188
9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,6-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 159679188) has the molecular formula C186H117N21 and a molecular weight of 2646.13 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,6-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole.
| Compound Name | 9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,6-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole |
|---|---|
| PubChem CID | 159679188 |
| Molecular Formula | C186H117N21 |
| Molecular Weight | 2646.13 g/mol |
| Exact Mass | 2643.98 |
| IUPAC Name | 9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole;9-[3,6-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-n5c6ccccc6c6ccccc65)cnc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)cnc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C62H39N7/c1-3-20-40(21-4-1)59-64-60(41-22-5-2-6-23-41)66-61(65-59)43-25-19-24-42(38-43)57-56(67-50-32-13-7-26-44(50)45-27-8-14-33-51(45)67)39-63-62(69-54-36-17-11-30-48(54)49-31-12-18-37-55(49)69)58(57)68-52-34-15-9-28-46(52)47-29-10-16-35-53(47)68;1-3-21-40(22-4-1)59-64-60(41-23-5-2-6-24-41)66-61(65-59)49-32-8-7-31-48(49)57-56(67-50-33-15-9-25-42(50)43-26-10-16-34-51(43)67)39-63-62(69-54-37-19-13-29-46(54)47-30-14-20-38-55(47)69)58(57)68-52-35-17-11-27-44(52)45-28-12-18-36-53(45)68;1-3-21-40(22-4-1)59-64-60(41-23-5-2-6-24-41)66-61(65-59)49-32-8-7-25-42(49)50-39-57(67-51-33-15-9-26-43(51)44-27-10-16-34-52(44)67)63-62(69-55-37-19-13-30-47(55)48-31-14-20-38-56(48)69)58(50)68-53-35-17-11-28-45(53)46-29-12-18-36-54(46)68/h3*1-39H |
| InChIKey | MUZPOCBWYJAPAX-UHFFFAOYSA-N |
| XLogP | 45.68 |
| TPSA | 199.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2646.13 |
| LogP ≤ 5 | 45.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |