C210H130O5 — CID 161175416
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 161175416) has the molecular formula C210H130O5 and a molecular weight of 2733.34 g/mol. Its IUPAC name is 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran.
| Compound Name | 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 161175416 |
| Molecular Formula | C210H130O5 |
| Molecular Weight | 2733.34 g/mol |
| Exact Mass | 2730.99 |
| IUPAC Name | 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/5C42H26O/c1-2-16-30-27(12-1)13-10-22-31(30)28-14-9-15-29(26-28)40-33-18-3-5-20-35(33)41(36-21-6-4-19-34(36)40)38-24-11-23-37-32-17-7-8-25-39(32)43-42(37)38;1-2-13-30-27(11-1)12-9-19-31(30)28-23-25-29(26-24-28)40-33-15-3-5-17-35(33)41(36-18-6-4-16-34(36)40)38-21-10-20-37-32-14-7-8-22-39(32)43-42(37)38;1-2-12-28-25-30(24-23-27(28)11-1)29-13-9-14-31(26-29)40-33-16-3-5-18-35(33)41(36-19-6-4-17-34(36)40)38-21-10-20-37-32-15-7-8-22-39(32)43-42(37)38;1-2-11-30-26-31(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;1-2-15-28-27(13-1)14-11-23-29(28)30-16-3-4-18-32(30)40-33-19-5-7-21-35(33)41(36-22-8-6-20-34(36)40)38-25-12-24-37-31-17-9-10-26-39(31)43-42(37)38/h5*1-26H |
| InChIKey | URSURGOWXQXUDC-UHFFFAOYSA-N |
| XLogP | 60.23 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 215 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2733.34 |
| LogP ≤ 5 | 60.23 |
| 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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