C156H100N20 — CID 159657299
2,4-diphenyl-6-[10-(5-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-4-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine (PubChem CID 159657299) has the molecular formula C156H100N20 and a molecular weight of 2254.66 g/mol. Its IUPAC name is 2,4-diphenyl-6-[10-(5-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-4-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[10-(5-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-4-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 159657299 |
| Molecular Formula | C156H100N20 |
| Molecular Weight | 2254.66 g/mol |
| Exact Mass | 2252.84 |
| IUPAC Name | 2,4-diphenyl-6-[10-(5-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-4-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc(-c5cccnc5)nc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc(-c5ccncc5)cn4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc(-c5ccncc5)nc4)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/4C39H25N5/c1-3-13-26(14-4-1)37-42-38(27-15-5-2-6-16-27)44-39(43-37)36-31-19-9-7-17-29(31)35(30-18-8-10-20-32(30)36)28-22-23-34(41-25-28)33-21-11-12-24-40-33;1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)36-32-19-9-7-17-30(32)35(31-18-8-10-20-33(31)36)29-21-22-34(41-25-29)28-16-11-23-40-24-28;1-3-11-27(12-4-1)37-42-38(28-13-5-2-6-14-28)44-39(43-37)36-32-17-9-7-15-30(32)35(31-16-8-10-18-33(31)36)29-19-20-34(41-25-29)26-21-23-40-24-22-26;1-3-11-27(12-4-1)37-42-38(28-13-5-2-6-14-28)44-39(43-37)36-32-17-9-7-15-30(32)35(31-16-8-10-18-33(31)36)34-20-19-29(25-41-34)26-21-23-40-24-22-26/h4*1-25H |
| InChIKey | MSIJQBJSAKPKBN-UHFFFAOYSA-N |
| XLogP | 37.21 |
| TPSA | 257.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2254.66 |
| LogP ≤ 5 | 37.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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