C182H143N7O4 — CID 158116724
4,4-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-5H-1,3-oxazole;5,5-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4H-1,3-oxazole;2-(10-naphthalen-1-ylanthracen-9-yl)-6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4,5-dihydro-1,3-oxazole;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,3-oxazole (PubChem CID 158116724) has the molecular formula C182H143N7O4 and a molecular weight of 2492.19 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-5H-1,3-oxazole;5,5-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4H-1,3-oxazole;2-(10-naphthalen-1-ylanthracen-9-yl)-6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4,5-dihydro-1,3-oxazole;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,3-oxazole.
| Compound Name | 4,4-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-5H-1,3-oxazole;5,5-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4H-1,3-oxazole;2-(10-naphthalen-1-ylanthracen-9-yl)-6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4,5-dihydro-1,3-oxazole;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,3-oxazole |
|---|---|
| PubChem CID | 158116724 |
| Molecular Formula | C182H143N7O4 |
| Molecular Weight | 2492.19 g/mol |
| Exact Mass | 2490.12 |
| IUPAC Name | 4,4-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-5H-1,3-oxazole;5,5-dimethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4H-1,3-oxazole;2-(10-naphthalen-1-ylanthracen-9-yl)-6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4,5-dihydro-1,3-oxazole;4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-1,3-oxazole |
| SMILES | CC1(C)CN=C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)O1.CC1(C)COC(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)=N1.CC1(C)N=C(c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)OC1(C)C.CC1(C)N=C(c2ccccc2)N(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)C1(C)C.c1ccc(-c2c3ccccc3c(-c3ccc(C4=NCCO4)c4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/C42H35N3.C37H31NO.2C35H27NO.C33H23NO/c1-41(2)42(3,4)45(40(44-41)29-17-6-5-7-18-29)37-27-15-26-36(43-37)39-34-23-12-10-21-32(34)38(33-22-11-13-24-35(33)39)31-25-14-19-28-16-8-9-20-30(28)31;1-36(2)37(3,4)39-35(38-36)32-23-22-31(25-16-8-9-17-26(25)32)34-29-20-12-10-18-27(29)33(24-14-6-5-7-15-24)28-19-11-13-21-30(28)34;1-35(2)22-37-34(36-35)31-21-20-30(24-14-6-7-15-25(24)31)33-28-18-10-8-16-26(28)32(23-12-4-3-5-13-23)27-17-9-11-19-29(27)33;1-35(2)22-36-34(37-35)31-21-20-30(24-14-6-7-15-25(24)31)33-28-18-10-8-16-26(28)32(23-12-4-3-5-13-23)27-17-9-11-19-29(27)33;1-2-10-22(11-3-1)31-25-14-6-8-16-27(25)32(28-17-9-7-15-26(28)31)29-18-19-30(33-34-20-21-35-33)24-13-5-4-12-23(24)29/h5-27H,1-4H3;5-23H,1-4H3;2*3-21H,22H2,1-2H3;1-19H,20-21H2 |
| InChIKey | FRCGQHAIYYMAKU-UHFFFAOYSA-N |
| XLogP | 46.84 |
| TPSA | 114.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2492.19 |
| LogP ≤ 5 | 46.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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