C96H60N10 — CID 149424415
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 149424415) has the molecular formula C96H60N10 and a molecular weight of 1353.61 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
| Compound Name | 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 149424415 |
| Molecular Formula | C96H60N10 |
| Molecular Weight | 1353.61 g/mol |
| Exact Mass | 1352.50 |
| IUPAC Name | 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1 |
| InChI | InChI=1S/C96H60N10/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)77-59-67(50-54-83(77)105-81-48-25-21-44-75(81)87-85(105)56-52-73-71-42-19-23-46-79(71)103(89(73)87)69-38-15-5-16-39-69)65-36-27-37-66(58-65)68-51-55-84(78(60-68)96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)106-82-49-26-22-45-76(82)88-86(106)57-53-74-72-43-20-24-47-80(72)104(90(74)88)70-40-17-6-18-41-70/h1-60H |
| InChIKey | YTUVEZKWYGTOSN-UHFFFAOYSA-N |
| XLogP | 23.78 |
| TPSA | 97.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 106 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1353.61 |
| LogP ≤ 5 | 23.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |