C174H102O6 — CID 161462029
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;11-[8-naphtho[2,1-b][1]benzofuran-11-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 161462029) has the molecular formula C174H102O6 and a molecular weight of 2288.72 g/mol. Its IUPAC name is 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;11-[8-naphtho[2,1-b][1]benzofuran-11-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran.
| Compound Name | 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;11-[8-naphtho[2,1-b][1]benzofuran-11-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran |
|---|---|
| PubChem CID | 161462029 |
| Molecular Formula | C174H102O6 |
| Molecular Weight | 2288.72 g/mol |
| Exact Mass | 2286.77 |
| IUPAC Name | 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;11-[8-naphtho[2,1-b][1]benzofuran-11-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran |
| SMILES | c1ccc(-c2ccc(-c3c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4cc4c(-c5cc6ccccc6c6c5oc5ccccc56)cccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4cc4c(-c5cccc6c5oc5ccc7ccccc7c56)cccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6oc7ccc8ccccc8c7c56)c4cc4c(-c5cccc6oc7ccc8ccccc8c7c56)cccc34)cc2)cc1 |
| InChI | InChI=1S/3C58H34O2/c1-2-12-35(13-3-1)36-26-28-39(29-27-36)54-46-20-8-18-42(44-22-10-24-50-57(44)55-40-16-6-4-14-37(40)30-32-52(55)59-50)48(46)34-49-43(19-9-21-47(49)54)45-23-11-25-51-58(45)56-41-17-7-5-15-38(41)31-33-53(56)60-51;1-2-12-35(13-3-1)36-26-28-39(29-27-36)54-44-20-8-18-42(46-22-10-24-48-55-40-16-6-4-14-37(40)30-32-52(55)59-57(46)48)50(44)34-51-43(19-9-21-45(51)54)47-23-11-25-49-56-41-17-7-5-15-38(41)31-33-53(56)60-58(47)49;1-2-14-35(15-3-1)36-28-30-37(31-29-36)54-44-24-12-22-42(50-32-38-16-4-6-18-40(38)55-46-20-8-10-26-52(46)59-57(50)55)48(44)34-49-43(23-13-25-45(49)54)51-33-39-17-5-7-19-41(39)56-47-21-9-11-27-53(47)60-58(51)56/h3*1-34H |
| InChIKey | WBYCXTTXCILYEJ-UHFFFAOYSA-N |
| XLogP | 50.30 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2288.72 |
| LogP ≤ 5 | 50.30 |
| 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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