C276H168O6 — CID 158049293
4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 158049293) has the molecular formula C276H168O6 and a molecular weight of 3580.37 g/mol. Its IUPAC name is 4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.
| Compound Name | 4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran |
|---|---|
| PubChem CID | 158049293 |
| Molecular Formula | C276H168O6 |
| Molecular Weight | 3580.37 g/mol |
| Exact Mass | 3577.28 |
| IUPAC Name | 4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran |
| SMILES | c1cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2cc3oc4ccccc4c3cc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6cc6c5oc5ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6oc7ccccc7c6c6ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5ccc5c7ccccc7oc65)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)cc4)c4ccccc34)cccc2c1 |
| InChI | InChI=1S/6C46H28O/c1-3-15-33-29(12-1)14-11-22-36(33)45-39-20-7-5-18-37(39)43(38-19-6-8-21-40(38)45)30-24-26-31(27-25-30)44-34-16-4-2-13-32(34)28-41-35-17-9-10-23-42(35)47-46(41)44;1-2-14-32-29(12-1)13-11-22-35(32)45-38-19-6-4-17-36(38)44(37-18-5-7-20-39(37)45)31-26-24-30(25-27-31)41-28-42-34-16-9-10-23-43(34)47-46(42)40-21-8-3-15-33(40)41;1-2-14-33-29(11-1)12-9-21-36(33)46-39-18-5-3-16-37(39)45(38-17-4-6-19-40(38)46)31-25-23-30(24-26-31)34-20-10-13-32-27-42-35-15-7-8-22-43(35)47-44(42)28-41(32)34;1-2-13-33-29(11-1)12-9-20-36(33)45-39-17-5-3-15-37(39)44(38-16-4-6-18-40(38)45)31-25-23-30(24-26-31)32-19-10-21-41-34(32)27-28-42-35-14-7-8-22-43(35)47-46(41)42;1-2-13-33-29(11-1)12-9-20-35(33)45-39-16-5-3-14-37(39)44(38-15-4-6-17-40(38)45)31-25-23-30(24-26-31)32-19-10-21-36-34(32)27-28-43-46(36)41-18-7-8-22-42(41)47-43;1-2-14-32-29(12-1)13-11-22-34(32)45-38-19-7-5-17-36(38)44(37-18-6-8-20-39(37)45)31-26-24-30(25-27-31)41-28-43-46(35-16-4-3-15-33(35)41)40-21-9-10-23-42(40)47-43/h6*1-28H |
| InChIKey | FJHAWJKAMKZREZ-UHFFFAOYSA-N |
| XLogP | 79.20 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 282 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3580.37 |
| LogP ≤ 5 | 79.20 |
| 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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