C228H136N16O6S2 — CID 163648577
9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole (PubChem CID 163648577) has the molecular formula C228H136N16O6S2 and a molecular weight of 3259.84 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole.
| Compound Name | 9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole |
|---|---|
| PubChem CID | 163648577 |
| Molecular Formula | C228H136N16O6S2 |
| Molecular Weight | 3259.84 g/mol |
| Exact Mass | 3257.03 |
| IUPAC Name | 9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole;9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole |
| SMILES | c1ccc(-c2cccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7ccccc78)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7cccc8sc9ccccc9c78)n6)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2)cc1 |
| InChI | InChI=1S/2C57H34N4O2.2C57H34N4OS/c1-3-14-35(15-4-1)37-18-13-19-38(30-37)39-27-29-52-46(31-39)47-33-41(61-49-23-10-7-20-42(49)43-21-8-11-24-50(43)61)34-48(54(47)63-52)57-59-55(36-16-5-2-6-17-36)58-56(60-57)40-26-28-45-44-22-9-12-25-51(44)62-53(45)32-40;1-3-14-35(15-4-1)37-18-13-19-38(30-37)39-26-28-53-46(31-39)47-33-41(61-49-23-10-7-20-42(49)43-21-8-11-24-50(43)61)34-48(54(47)63-53)57-59-55(36-16-5-2-6-17-36)58-56(60-57)40-27-29-52-45(32-40)44-22-9-12-25-51(44)62-52;1-3-15-35(16-4-1)37-19-13-20-38(31-37)39-29-30-51-46(32-39)47-33-40(61-49-26-10-7-21-41(49)42-22-8-11-27-50(42)61)34-48(53(47)62-51)57-59-55(36-17-5-2-6-18-36)58-56(60-57)45-25-14-24-44-43-23-9-12-28-52(43)63-54(44)45;1-3-15-35(16-4-1)37-19-13-20-38(31-37)39-29-30-50-45(32-39)46-33-40(61-48-25-10-7-21-41(48)42-22-8-11-26-49(42)61)34-47(54(46)62-50)57-59-55(36-17-5-2-6-18-36)58-56(60-57)44-24-14-28-52-53(44)43-23-9-12-27-51(43)63-52/h4*1-34H |
| InChIKey | IKHQWJQMYUGEMR-UHFFFAOYSA-N |
| XLogP | 61.35 |
| TPSA | 253.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 252 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3259.84 |
| LogP ≤ 5 | 61.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |