C216H136N20O4 — CID 159831160
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine;2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 159831160) has the molecular formula C216H136N20O4 and a molecular weight of 3075.60 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine;2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine;2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 159831160 |
| Molecular Formula | C216H136N20O4 |
| Molecular Weight | 3075.60 g/mol |
| Exact Mass | 3073.11 |
| IUPAC Name | 2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine;2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc5oc6ccccc6c5cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nn2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(cc5-c5ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc5)oc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6ccccc6c5cc4-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7ccccc67)n5)c4)cc3)n2)cc1 |
| InChI | InChI=1S/C62H38N6O.C62H40N4O.C49H31N5O.C43H27N5O/c1-3-17-42(18-4-1)57-63-58(43-19-5-2-6-20-43)65-59(64-57)44-32-30-41(31-33-44)53-38-56-54(50-26-11-12-28-55(50)69-56)37-52(53)46-23-13-24-47(36-46)60-66-61(48-34-29-39-15-7-8-21-45(39)35-48)68-62(67-60)51-27-14-22-40-16-9-10-25-49(40)51;1-5-16-41(17-6-1)49-24-15-25-50(36-49)58-40-57(65-62(66-58)48-22-11-4-12-23-48)46-32-28-42(29-33-46)52-37-54-51-26-13-14-27-59(51)67-60(54)38-53(52)43-30-34-45(35-31-43)56-39-55(44-18-7-2-8-19-44)63-61(64-56)47-20-9-3-10-21-47;1-5-16-32(17-6-1)42-31-43(33-18-7-2-8-19-33)51-48(50-42)37-25-15-24-36(28-37)39-29-40-38-26-13-14-27-44(38)55-45(40)30-41(39)49-53-46(34-20-9-3-10-21-34)52-47(54-49)35-22-11-4-12-23-35;1-4-12-29(13-5-1)37-24-25-38(48-47-37)30-22-20-28(21-23-30)34-27-40-35(33-18-10-11-19-39(33)49-40)26-36(34)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-38H;1-40H;1-31H;1-27H |
| InChIKey | NNMCKGWKPBYLCK-UHFFFAOYSA-N |
| XLogP | 54.56 |
| TPSA | 310.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3075.60 |
| LogP ≤ 5 | 54.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |