C228H132O8 — CID 162162076
6-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;4-[8-naphtho[1,2-b][1]benzofuran-4-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran;6-[8-naphtho[1,2-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 162162076) has the molecular formula C228H132O8 and a molecular weight of 2999.56 g/mol. Its IUPAC name is 6-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;4-[8-naphtho[1,2-b][1]benzofuran-4-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran;6-[8-naphtho[1,2-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 6-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;4-[8-naphtho[1,2-b][1]benzofuran-4-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran;6-[8-naphtho[1,2-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran |
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| PubChem CID | 162162076 |
| Molecular Formula | C228H132O8 |
| Molecular Weight | 2999.56 g/mol |
| Exact Mass | 2996.99 |
| IUPAC Name | 6-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-6-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran;4-[8-naphtho[1,2-b][1]benzofuran-4-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran;6-[8-naphtho[1,2-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[1,2-b][1]benzofuran |
| SMILES | c1ccc(-c2ccc(-c3c4cccc(-c5cc6ccccc6c6oc7ccccc7c56)c4cc4c(-c5cc6ccccc6c6oc7ccccc7c56)cccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5ccc5c7ccccc7oc65)c4cc4c(-c5cccc6c5ccc5c7ccccc7oc65)cccc34)cc2)cc1.c1ccc2c(-c3c4cccc(-c5c6ccccc6cc6c5oc5ccccc56)c4cc4c(-c5c6ccccc6cc6c5oc5ccccc56)cccc34)cccc2c1.c1ccc2c(-c3c4cccc(-c5c6ccccc6cc6oc7ccccc7c56)c4cc4c(-c5c6ccccc6cc6oc7ccccc7c56)cccc34)cccc2c1 |
| InChI | InChI=1S/2C58H34O2.2C56H32O2/c1-2-12-35(13-3-1)36-26-28-37(29-27-36)56-46-20-8-18-40(38-16-10-22-48-42(38)30-32-50-44-14-4-6-24-54(44)59-57(48)50)52(46)34-53-41(19-9-21-47(53)56)39-17-11-23-49-43(39)31-33-51-45-15-5-7-25-55(45)60-58(49)51;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)57-55(50)46-20-8-10-26-52(46)59-57)48(44)34-49-43(23-13-25-45(49)54)51-33-39-17-5-7-19-41(39)58-56(51)47-21-9-11-27-53(47)60-58;1-4-18-36-33(14-1)17-11-23-39(36)52-40-24-12-26-42(53-37-19-5-2-15-34(37)30-50-55(53)44-21-7-9-28-48(44)57-50)46(40)32-47-41(52)25-13-27-43(47)54-38-20-6-3-16-35(38)31-51-56(54)45-22-8-10-29-49(45)58-51;1-4-18-36-33(14-1)17-11-23-41(36)52-42-24-12-26-44(53-37-19-5-2-15-34(37)30-48-39-21-7-9-28-50(39)57-55(48)53)46(42)32-47-43(52)25-13-27-45(47)54-38-20-6-3-16-35(38)31-49-40-22-8-10-29-51(40)58-56(49)54/h2*1-34H;2*1-32H |
| InChIKey | ZMPVDSGNULQSON-UHFFFAOYSA-N |
| XLogP | 66.04 |
| TPSA | 105.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 236 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2999.56 |
| LogP ≤ 5 | 66.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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