C184H112O4 — CID 159518603
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 159518603) has the molecular formula C184H112O4 and a molecular weight of 2386.92 g/mol. Its IUPAC name is 8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 159518603 |
| Molecular Formula | C184H112O4 |
| Molecular Weight | 2386.92 g/mol |
| Exact Mass | 2384.86 |
| IUPAC Name | 8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)cccc34)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7oc8c9ccccc9ccc8c7c6)ccc5c4)c4ccccc34)cccc2c1 |
| InChI | InChI=1S/C50H30O.2C46H28O.C42H26O/c1-3-13-38-31(10-1)12-9-19-40(38)49-43-17-7-5-15-41(43)48(42-16-6-8-18-44(42)49)37-23-22-33-28-34(20-21-35(33)29-37)36-25-27-47-46(30-36)45-26-24-32-11-2-4-14-39(32)50(45)51-47;1-3-13-34-30(10-1)12-9-19-36(34)45-39-17-7-5-15-37(39)44(38-16-6-8-18-40(38)45)32-22-20-29(21-23-32)33-25-27-43-42(28-33)41-26-24-31-11-2-4-14-35(31)46(41)47-43;1-2-13-30(14-3-1)44-37-16-6-8-18-39(37)45(40-19-9-7-17-38(40)44)36-23-11-21-34-32(20-10-22-35(34)36)31-25-27-43-42(28-31)41-26-24-29-12-4-5-15-33(29)46(41)47-43;1-2-11-29(12-3-1)40-33-14-6-8-16-35(33)41(36-17-9-7-15-34(36)40)30-20-18-27(19-21-30)31-23-25-39-38(26-31)37-24-22-28-10-4-5-13-32(28)42(37)43-39/h1-30H;2*1-28H;1-26H |
| InChIKey | MBNCYHRBWFBZBS-UHFFFAOYSA-N |
| XLogP | 52.80 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 188 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2386.92 |
| LogP ≤ 5 | 52.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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