C284H170N18O6S6 — CID 158343645
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-[4-[2-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-[6-(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 158343645) has the molecular formula C284H170N18O6S6 and a molecular weight of 4123.01 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-[4-[2-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-[6-(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-[4-[2-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-[6-(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158343645 |
| Molecular Formula | C284H170N18O6S6 |
| Molecular Weight | 4123.01 g/mol |
| Exact Mass | 4119.19 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-[4-[2-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-[6-(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)c4ccccc4c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccc(-c4cccc5c4oc4c(-c6ccccc6-c6ccccc6)cccc45)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/C57H35N3O2.C57H35N3OS.C45H27N3S2.2C43H25N3OS.C39H23N3OS/c1-3-14-38(15-4-1)43-21-11-23-46-47-24-12-22-45(54(47)62-53(43)46)44-19-8-7-18-42(44)39-32-28-36(29-33-39)37-30-34-41(35-31-37)56-58-55(40-16-5-2-6-17-40)59-57(60-56)49-25-13-27-51-52(49)48-20-9-10-26-50(48)61-51;1-3-16-36(17-4-1)40-20-7-9-22-43(40)44-26-14-28-46-45-27-13-25-42(53(45)61-54(44)46)38-34-32-37(33-35-38)41-21-8-10-23-47(41)56-58-55(39-18-5-2-6-19-39)59-57(60-56)49-29-15-31-51-52(49)48-24-11-12-30-50(48)62-51;1-2-12-28(13-3-1)43-46-44(48-45(47-43)37-22-11-25-40-41(37)36-19-5-7-24-39(36)49-40)32-17-9-15-30(27-32)29-14-8-16-31(26-29)33-20-10-21-35-34-18-4-6-23-38(34)50-42(33)35;1-2-11-26(12-3-1)41-44-42(28-21-22-33-32-15-6-8-19-37(32)47-38(33)25-28)46-43(45-41)36-24-29(23-27-13-4-5-14-30(27)36)31-17-10-18-35-34-16-7-9-20-39(34)48-40(31)35;1-2-11-26(12-3-1)41-44-42(28-21-22-32-31-15-6-8-19-37(31)47-38(32)25-28)46-43(45-41)29-23-27-13-4-5-14-30(27)36(24-29)35-18-10-17-34-33-16-7-9-20-39(33)48-40(34)35;1-2-10-24(11-3-1)37-40-38(42-39(41-37)27-20-21-30-29-14-4-6-18-33(29)43-34(30)23-27)26-13-8-12-25(22-26)28-16-9-17-32-31-15-5-7-19-35(31)44-36(28)32/h2*1-35H;1-27H;2*1-25H;1-23H |
| InChIKey | GRLPNHQSYNDOQG-UHFFFAOYSA-N |
| XLogP | 78.82 |
| TPSA | 310.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4123.01 |
| LogP ≤ 5 | 78.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |