C190H116O4 — CID 161186579
8-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 161186579) has the molecular formula C190H116O4 and a molecular weight of 2463.01 g/mol. Its IUPAC name is 8-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 8-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 161186579 |
| Molecular Formula | C190H116O4 |
| Molecular Weight | 2463.01 g/mol |
| Exact Mass | 2460.89 |
| IUPAC Name | 8-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5oc6c7ccccc7ccc6c5c4)c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cc3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7oc8c9ccccc9ccc8c7c6)ccc5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C52H32O.C50H30O.C46H28O.C42H26O/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)50-42-18-8-10-20-44(42)51(45-21-11-9-19-43(45)50)46-30-29-38(40-16-6-7-17-41(40)46)37-27-31-49-48(32-37)47-28-26-35-14-4-5-15-39(35)52(47)53-49;1-2-11-33-28-38(21-17-31(33)9-1)48-41-13-5-7-15-43(41)49(44-16-8-6-14-42(44)48)39-22-20-34-27-35(18-19-36(34)29-39)37-24-26-47-46(30-37)45-25-23-32-10-3-4-12-40(32)50(45)51-47;1-2-12-29(13-3-1)41-28-33(26-31-15-5-6-16-34(31)41)45-38-20-10-8-18-36(38)44(37-19-9-11-21-39(37)45)32-23-25-43-42(27-32)40-24-22-30-14-4-7-17-35(30)46(40)47-43;1-2-12-28(13-3-1)40-33-17-6-8-19-35(33)41(36-20-9-7-18-34(36)40)31-15-10-14-29(25-31)30-22-24-39-38(26-30)37-23-21-27-11-4-5-16-32(27)42(37)43-39/h1-32H;1-30H;1-28H;1-26H |
| InChIKey | UTDUBYBRFRTCPC-UHFFFAOYSA-N |
| XLogP | 54.47 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 194 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2463.01 |
| LogP ≤ 5 | 54.47 |
| 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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