C186H108O6 — CID 160522547
4-[8-naphtho[2,1-b][1]benzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 160522547) has the molecular formula C186H108O6 and a molecular weight of 2438.90 g/mol. Its IUPAC name is 4-[8-naphtho[2,1-b][1]benzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran.
| Compound Name | 4-[8-naphtho[2,1-b][1]benzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran |
|---|---|
| PubChem CID | 160522547 |
| Molecular Formula | C186H108O6 |
| Molecular Weight | 2438.90 g/mol |
| Exact Mass | 2436.81 |
| IUPAC Name | 4-[8-naphtho[2,1-b][1]benzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran |
| SMILES | c1ccc(-c2cc(-c3c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4cc4c(-c5cc6ccccc6c6c5oc5ccccc56)cccc34)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5ccc5oc7ccccc7c56)c4cc4c(-c5cccc6c5ccc5oc7ccccc7c56)cccc34)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4cc4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc34)c3ccccc3c2)cc1 |
| InChI | InChI=1S/3C62H36O2/c1-2-14-37(15-3-1)41-34-40-18-6-7-19-42(40)55(35-41)58-47-24-10-22-45(49-26-12-28-51-59-43-20-8-4-16-38(43)30-32-56(59)63-61(49)51)53(47)36-54-46(23-11-25-48(54)58)50-27-13-29-52-60-44-21-9-5-17-39(44)31-33-57(60)64-62(50)52;1-2-16-37(17-3-1)41-32-38-18-4-7-21-42(38)53(35-41)58-47-28-14-26-45(54-33-39-19-5-8-22-43(39)59-49-24-10-12-30-56(49)63-61(54)59)51(47)36-52-46(27-15-29-48(52)58)55-34-40-20-6-9-23-44(40)60-50-25-11-13-31-57(50)64-62(55)60;1-2-14-37(15-3-1)39-34-38-16-4-5-17-40(38)55(35-39)60-49-26-12-22-43(41-20-10-24-47-45(41)30-32-58-61(47)51-18-6-8-28-56(51)63-58)53(49)36-54-44(23-13-27-50(54)60)42-21-11-25-48-46(42)31-33-59-62(48)52-19-7-9-29-57(52)64-59/h3*1-36H |
| InChIKey | QULUGSKHSMICJD-UHFFFAOYSA-N |
| XLogP | 53.76 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 192 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2438.90 |
| LogP ≤ 5 | 53.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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