C212H130O5 — CID 158036336
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 158036336) has the molecular formula C212H130O5 and a molecular weight of 2757.37 g/mol. Its IUPAC name is 8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 158036336 |
| Molecular Formula | C212H130O5 |
| Molecular Weight | 2757.37 g/mol |
| Exact Mass | 2754.99 |
| IUPAC Name | 8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran |
| SMILES | c1cc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C48H30O.C46H28O.C42H26O.C40H24O.C36H22O/c1-2-10-31(11-3-1)32-18-22-35(23-19-32)46-39-14-6-8-16-41(39)47(42-17-9-7-15-40(42)46)36-24-20-33(21-25-36)37-27-29-45-44(30-37)43-28-26-34-12-4-5-13-38(34)48(43)49-45;1-3-16-34-29(11-1)13-10-22-36(34)45-39-20-7-5-18-37(39)44(38-19-6-8-21-40(38)45)33-15-9-14-31(27-33)32-24-26-43-42(28-32)41-25-23-30-12-2-4-17-35(30)46(41)47-43;1-2-10-27(11-3-1)28-18-20-30(21-19-28)40-33-14-6-8-16-35(33)41(36-17-9-7-15-34(36)40)31-23-25-39-38(26-31)37-24-22-29-12-4-5-13-32(29)42(37)43-39;1-2-11-27-23-28(18-17-25(27)9-1)38-31-13-5-7-15-33(31)39(34-16-8-6-14-32(34)38)29-20-22-37-36(24-29)35-21-19-26-10-3-4-12-30(26)40(35)41-37;1-2-11-24(12-3-1)34-27-14-6-8-16-29(27)35(30-17-9-7-15-28(30)34)25-19-21-33-32(22-25)31-20-18-23-10-4-5-13-26(23)36(31)37-33/h1-30H;1-28H;1-26H;1-24H;1-22H |
| InChIKey | FHUFLKHONNVJJQ-UHFFFAOYSA-N |
| XLogP | 60.87 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2757.37 |
| LogP ≤ 5 | 60.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|