C280H174O6 — CID 163725352
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 163725352) has the molecular formula C280H174O6 and a molecular weight of 3634.47 g/mol. Its IUPAC name is 2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran.
| Compound Name | 2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran |
|---|---|
| PubChem CID | 163725352 |
| Molecular Formula | C280H174O6 |
| Molecular Weight | 3634.47 g/mol |
| Exact Mass | 3631.33 |
| IUPAC Name | 2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)c1 |
| InChI | InChI=1S/4C48H30O.C46H28O.C42H26O/c1-2-18-37-31(12-1)13-11-24-38(37)34-15-10-17-36(29-34)48-42-22-5-3-20-40(42)47(41-21-4-6-23-43(41)48)35-16-9-14-32(28-35)33-26-27-46-44(30-33)39-19-7-8-25-45(39)49-46;1-2-12-32-27-35(24-23-31(32)11-1)33-13-9-15-37(28-33)47-40-18-3-5-20-42(40)48(43-21-6-4-19-41(43)47)38-16-10-14-34(29-38)36-25-26-46-44(30-36)39-17-7-8-22-45(39)49-46;1-2-17-35-31(13-1)14-12-25-36(35)37-18-3-4-20-39(37)48-42-23-7-5-21-40(42)47(41-22-6-8-24-43(41)48)34-16-11-15-32(29-34)33-27-28-46-44(30-33)38-19-9-10-26-45(38)49-46;1-2-13-32-28-35(25-24-31(32)12-1)37-16-3-4-18-39(37)48-42-21-7-5-19-40(42)47(41-20-6-8-22-43(41)48)36-15-11-14-33(29-36)34-26-27-46-44(30-34)38-17-9-10-23-45(38)49-46;1-2-13-35-29(10-1)20-21-32-27-34(22-24-36(32)35)46-40-17-5-3-15-38(40)45(39-16-4-6-18-41(39)46)33-12-9-11-30(26-33)31-23-25-44-42(28-31)37-14-7-8-19-43(37)47-44;1-2-15-31-27(11-1)12-10-21-33(31)42-36-19-5-3-17-34(36)41(35-18-4-6-20-37(35)42)30-14-9-13-28(25-30)29-23-24-40-38(26-29)32-16-7-8-22-39(32)43-40/h4*1-30H;1-28H;1-26H |
| InChIKey | KVBJWFHALGFYQE-UHFFFAOYSA-N |
| XLogP | 80.10 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 286 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3634.47 |
| LogP ≤ 5 | 80.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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