C145H86N12O4 — CID 167566631
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole (PubChem CID 167566631) has the molecular formula C145H86N12O4 and a molecular weight of 2060.36 g/mol. Its IUPAC name is 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole.
| Compound Name | 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole |
|---|---|
| PubChem CID | 167566631 |
| Molecular Formula | C145H86N12O4 |
| Molecular Weight | 2060.36 g/mol |
| Exact Mass | 2058.69 |
| IUPAC Name | 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c6ccccc6c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7c8ccccc8ccc76)c5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5oc4c4ccccc34)n2)cc1 |
| InChI | InChI=1S/C49H28N4O2.C49H30N4O.C47H28N4O/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)39-27-38-35-22-13-24-41(46(35)55-45(38)34-21-8-7-18-31(34)39)53-40-23-11-9-19-32(40)36-26-37-33-20-10-12-25-43(33)54-44(37)28-42(36)53;1-4-15-31(16-5-1)34-27-28-37-36-22-12-13-25-42(36)53(44(37)29-34)43-26-14-24-39-40-30-41(35-21-10-11-23-38(35)45(40)54-46(39)43)49-51-47(32-17-6-2-7-18-32)50-48(52-49)33-19-8-3-9-20-33;1-3-15-30(16-4-1)45-48-46(31-17-5-2-6-18-31)50-47(49-45)38-28-37-35-23-13-25-41(44(35)52-43(37)34-21-10-9-20-33(34)38)51-39-24-12-11-22-36(39)42-32-19-8-7-14-29(32)26-27-40(42)51/h1-28H;1-30H;1-28H |
| InChIKey | FJFJJFJCGHULKK-UHFFFAOYSA-N |
| XLogP | 37.79 |
| TPSA | 183.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2060.36 |
| LogP ≤ 5 | 37.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |