C180H100N12O10S2 — CID 159607952
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 159607952) has the molecular formula C180H100N12O10S2 and a molecular weight of 2654.99 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159607952 |
| Molecular Formula | C180H100N12O10S2 |
| Molecular Weight | 2654.99 g/mol |
| Exact Mass | 2652.71 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3oc3cc(-c5cccc6c5oc5ccccc56)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3oc3cc(-c5cccc6c5oc5ccccc56)ccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5cccc6c5oc5ccccc56)ccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5cccc6c5oc5ccccc56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/2C45H25N3O3.2C45H25N3O2S/c1-2-10-26(11-3-1)43-46-44(28-21-23-39-36(24-28)31-13-5-6-18-37(31)49-39)48-45(47-43)35-17-9-16-34-32-22-20-27(25-40(32)51-42(34)35)29-14-8-15-33-30-12-4-7-19-38(30)50-41(29)33;1-2-11-26(12-3-1)43-46-44(34-18-10-22-38-40(34)33-14-5-7-21-37(33)49-38)48-45(47-43)35-19-9-17-32-30-24-23-27(25-39(30)51-42(32)35)28-15-8-16-31-29-13-4-6-20-36(29)50-41(28)31;1-2-11-26(12-3-1)43-46-44(48-45(47-43)36-20-10-18-34-31-14-5-7-22-39(31)51-42(34)36)35-19-9-17-33-30-24-23-27(25-38(30)50-41(33)35)28-15-8-16-32-29-13-4-6-21-37(29)49-40(28)32;1-2-10-26(11-3-1)43-46-44(28-21-23-33-32-13-5-7-19-39(32)51-40(33)25-28)48-45(47-43)36-17-9-16-35-31-22-20-27(24-38(31)50-42(35)36)29-14-8-15-34-30-12-4-6-18-37(30)49-41(29)34/h4*1-25H |
| InChIKey | MMHXMBJDIUUMMO-UHFFFAOYSA-N |
| XLogP | 49.89 |
| TPSA | 286.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2654.99 |
| LogP ≤ 5 | 49.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |