C184H114O5 — CID 158958080
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 158958080) has the molecular formula C184H114O5 and a molecular weight of 2404.93 g/mol. Its IUPAC name is 4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran.
| Compound Name | 4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 158958080 |
| Molecular Formula | C184H114O5 |
| Molecular Weight | 2404.93 g/mol |
| Exact Mass | 2402.87 |
| IUPAC Name | 4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/C42H26O.C38H24O.2C36H22O.C32H20O/c1-2-11-30-26-31(25-22-27(30)10-1)28-20-23-29(24-21-28)40-33-13-3-5-15-35(33)41(36-16-6-4-14-34(36)40)38-18-9-17-37-32-12-7-8-19-39(32)43-42(37)38;1-2-11-25(12-3-1)26-21-23-27(24-22-26)36-29-14-4-6-16-31(29)37(32-17-7-5-15-30(32)36)34-19-10-18-33-28-13-8-9-20-35(28)39-38(33)34;1-2-13-24-23(11-1)12-9-19-26(24)34-27-15-3-5-17-29(27)35(30-18-6-4-16-28(30)34)32-21-10-20-31-25-14-7-8-22-33(25)37-36(31)32;1-2-11-24-22-25(21-20-23(24)10-1)34-27-13-3-5-15-29(27)35(30-16-6-4-14-28(30)34)32-18-9-17-31-26-12-7-8-19-33(26)37-36(31)32;1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-26H;1-24H;2*1-22H;1-20H |
| InChIKey | JMGNOXSAYFIZEG-UHFFFAOYSA-N |
| XLogP | 52.93 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 189 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2404.93 |
| LogP ≤ 5 | 52.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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