C201H127N15O5 — CID 157293411
2-(4-naphthalen-1-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-naphthalen-2-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-naphthalen-2-yl-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(3-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 157293411) has the molecular formula C201H127N15O5 and a molecular weight of 2832.33 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-naphthalen-2-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-naphthalen-2-yl-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(3-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.
| Compound Name | 2-(4-naphthalen-1-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-naphthalen-2-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-naphthalen-2-yl-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(3-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole |
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| PubChem CID | 157293411 |
| Molecular Formula | C201H127N15O5 |
| Molecular Weight | 2832.33 g/mol |
| Exact Mass | 2830.01 |
| IUPAC Name | 2-(4-naphthalen-1-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-naphthalen-2-ylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-naphthalen-2-yl-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(3-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole;2-(4-phenylphenyl)-5-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole |
| SMILES | c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)cc4)o3)cc2)cc1.c1ccc(-c2cccc(-c3nnc(-c4ccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)cc4)o3)c2)cc1.c1cncc(-c2c3ccccc3c(-c3ccc(-c4nnc(-c5ccc(-c6ccc7ccccc7c6)cc5)o4)cc3)c3ccccc23)c1.c1cncc(-c2c3ccccc3c(-c3ccc(-c4nnc(-c5ccc(-c6cccc7ccccc67)cc5)o4)cc3)c3ccccc23)c1.c1cncc(-c2c3ccccc3c(-c3ccc(-c4nnc(-c5ccc6ccccc6c5)o4)cc3)c3ccccc23)c1 |
| InChI | InChI=1S/2C43H27N3O.2C39H25N3O.C37H23N3O/c1-2-12-34-28(9-1)10-7-17-35(34)29-18-22-31(23-19-29)42-45-46-43(47-42)32-24-20-30(21-25-32)40-36-13-3-5-15-38(36)41(33-11-8-26-44-27-33)39-16-6-4-14-37(39)40;1-2-9-33-26-34(24-17-28(33)8-1)29-15-20-31(21-16-29)42-45-46-43(47-42)32-22-18-30(19-23-32)40-36-11-3-5-13-38(36)41(35-10-7-25-44-27-35)39-14-6-4-12-37(39)40;1-2-10-26(11-3-1)29-12-8-13-30(24-29)39-42-41-38(43-39)28-21-19-27(20-22-28)36-32-15-4-6-17-34(32)37(31-14-9-23-40-25-31)35-18-7-5-16-33(35)36;1-2-9-26(10-3-1)27-16-20-29(21-17-27)38-41-42-39(43-38)30-22-18-28(19-23-30)36-32-12-4-6-14-34(32)37(31-11-8-24-40-25-31)35-15-7-5-13-33(35)36;1-2-9-27-22-28(20-15-24(27)8-1)37-40-39-36(41-37)26-18-16-25(17-19-26)34-30-11-3-5-13-32(30)35(29-10-7-21-38-23-29)33-14-6-4-12-31(33)34/h2*1-27H;2*1-25H;1-23H |
| InChIKey | BBBKAXKDYITOOS-UHFFFAOYSA-N |
| XLogP | 52.32 |
| TPSA | 259.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2832.33 |
| LogP ≤ 5 | 52.32 |
| 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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