C98H56N8O4 — CID 167128480
2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167128480) has the molecular formula C98H56N8O4 and a molecular weight of 1409.58 g/mol. Its IUPAC name is 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.
| Compound Name | 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole |
|---|---|
| PubChem CID | 167128480 |
| Molecular Formula | C98H56N8O4 |
| Molecular Weight | 1409.58 g/mol |
| Exact Mass | 1408.44 |
| IUPAC Name | 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6cc7nc(-c8ccc9cc(-c%10ccc(-c%11ccc(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14c%15nc(-c%16ccc%17ccccc%17c%16)oc%15cc%15c%14oc%14ccccc%14%15)n%13)cc%12)cc%11)cc%10)ccc9c8)oc7cc6c5c4)n3)cc2)cc1 |
| InChI | InChI=1S/C98H56N8O4/c1-3-13-57(14-4-1)60-31-37-67(38-32-60)92-102-94(74-44-35-58-15-7-9-19-69(58)50-74)104-95(103-92)75-47-48-84-79(53-75)80-54-86-82(56-85(80)107-84)99-97(109-86)76-46-43-72-49-71(41-42-73(72)52-76)65-29-27-63(28-30-65)61-23-25-62(26-24-61)64-33-39-68(40-34-64)93-101-91(66-17-5-2-6-18-66)105-96(106-93)88-89-87(55-81-78-21-11-12-22-83(78)108-90(81)88)110-98(100-89)77-45-36-59-16-8-10-20-70(59)51-77/h1-56H |
| InChIKey | HYMKQHHMHRMRHI-UHFFFAOYSA-N |
| XLogP | 25.60 |
| TPSA | 155.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 110 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1409.58 |
| LogP ≤ 5 | 25.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |