C135H86N10O2S — CID 158553292
2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 158553292) has the molecular formula C135H86N10O2S and a molecular weight of 1912.31 g/mol. Its IUPAC name is 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158553292 |
| Molecular Formula | C135H86N10O2S |
| Molecular Weight | 1912.31 g/mol |
| Exact Mass | 1910.67 |
| IUPAC Name | 2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylfuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-spiro[9H-anthracene-10,9'-fluorene]-2-ylthiophen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Cc4ccccc4C54c5ccccc5-c5ccccc54)s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C45H28N4O.C45H29N3O.C45H29N3S/c1-3-14-29(15-4-1)42-47-43(30-16-5-2-6-17-30)49-44(48-42)34-20-13-27-46-41(34)31-25-26-38-40(28-31)50-39-24-12-11-23-37(39)45(38)35-21-9-7-18-32(35)33-19-8-10-22-36(33)45;2*1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)41-26-25-40(49-41)32-23-24-37-33(28-32)27-31-17-7-10-20-36(31)45(37)38-21-11-8-18-34(38)35-19-9-12-22-39(35)45/h1-28H;2*1-26,28H,27H2 |
| InChIKey | HPZBNUCCOQFEQK-UHFFFAOYSA-N |
| XLogP | 31.67 |
| TPSA | 151.27 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1912.31 |
| LogP ≤ 5 | 31.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |