C184H116N12S4 — CID 159943034
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine (PubChem CID 159943034) has the molecular formula C184H116N12S4 and a molecular weight of 2623.30 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine.
| Compound Name | 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 159943034 |
| Molecular Formula | C184H116N12S4 |
| Molecular Weight | 2623.30 g/mol |
| Exact Mass | 2620.83 |
| IUPAC Name | 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1 |
| InChI | InChI=1S/4C46H29N3S/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)44-47-43(31-17-5-2-6-18-31)48-45(49-44)36-23-14-27-40-42(36)50-41-28-12-11-26-39(41)46(40)37-24-9-7-21-34(37)35-22-8-10-25-38(35)46;1-3-14-30(15-4-1)32-18-13-19-33(28-32)44-47-43(31-16-5-2-6-17-31)48-45(49-44)34-26-27-42-40(29-34)46(39-24-11-12-25-41(39)50-42)37-22-9-7-20-35(37)36-21-8-10-23-38(36)46;1-3-15-30(16-4-1)32-19-13-20-33(29-32)44-47-43(31-17-5-2-6-18-31)48-45(49-44)35-22-14-26-39-42(35)34-21-7-8-23-36(34)46(39)37-24-9-11-27-40(37)50-41-28-12-10-25-38(41)46;1-3-14-30(15-4-1)32-18-13-19-33(28-32)44-47-43(31-16-5-2-6-17-31)48-45(49-44)34-26-27-36-35-20-7-8-21-37(35)46(40(36)29-34)38-22-9-11-24-41(38)50-42-25-12-10-23-39(42)46/h4*1-29H |
| InChIKey | OBDBICBHEBCLPX-UHFFFAOYSA-N |
| XLogP | 45.47 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2623.30 |
| LogP ≤ 5 | 45.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |