C90H56N10 — CID 58943291
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 58943291) has the molecular formula C90H56N10 and a molecular weight of 1277.51 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 58943291 |
| Molecular Formula | C90H56N10 |
| Molecular Weight | 1277.51 g/mol |
| Exact Mass | 1276.47 |
| IUPAC Name | 9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1 |
| InChI | InChI=1S/C90H56N10/c1-3-23-57(24-4-1)63-51-64(58-25-5-2-6-26-58)54-67(53-63)68-55-65(59-43-47-61(48-44-59)85-91-87(97-77-35-15-7-27-69(77)70-28-8-16-36-78(70)97)95-88(92-85)98-79-37-17-9-29-71(79)72-30-10-18-38-80(72)98)52-66(56-68)60-45-49-62(50-46-60)86-93-89(99-81-39-19-11-31-73(81)74-32-12-20-40-82(74)99)96-90(94-86)100-83-41-21-13-33-75(83)76-34-14-22-42-84(76)100/h1-56H |
| InChIKey | DWNFCAYLQZKPFH-UHFFFAOYSA-N |
| XLogP | 22.11 |
| TPSA | 97.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 100 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1277.51 |
| LogP ≤ 5 | 22.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |