C192H120O4 — CID 158349201
2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 158349201) has the molecular formula C192H120O4 and a molecular weight of 2491.07 g/mol. Its IUPAC name is 2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
| Compound Name | 2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran |
|---|---|
| PubChem CID | 158349201 |
| Molecular Formula | C192H120O4 |
| Molecular Weight | 2491.07 g/mol |
| Exact Mass | 2488.92 |
| IUPAC Name | 2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran |
| SMILES | c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c(-c2ccc3oc4ccccc4c3c2)c1.c1ccc(-c2cccc3c2oc2ccccc23)c(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)cccc2c1 |
| InChI | InChI=1S/4C48H30O/c1-2-15-37-31(11-1)12-10-21-38(37)32-23-25-33(26-24-32)47-40-17-3-5-19-42(40)48(43-20-6-4-18-41(43)47)36-14-9-13-34(29-36)35-27-28-46-44(30-35)39-16-7-8-22-45(39)49-46;1-2-12-37-32(10-1)11-9-18-38(37)33-22-26-35(27-23-33)48-42-16-5-3-14-40(42)47(41-15-4-6-17-43(41)48)34-24-20-31(21-25-34)36-28-29-46-44(30-36)39-13-7-8-19-45(39)49-46;1-2-15-34-31(13-1)14-11-23-35(34)32-27-29-33(30-28-32)46-39-19-5-7-21-41(39)47(42-22-8-6-20-40(42)46)38-18-4-3-16-36(38)43-24-12-25-44-37-17-9-10-26-45(37)49-48(43)44;1-2-14-35-31(12-1)13-11-22-36(35)32-24-26-33(27-25-32)47-40-18-5-7-20-42(40)48(43-21-8-6-19-41(43)47)39-17-4-3-15-37(39)34-28-29-46-44(30-34)38-16-9-10-23-45(38)49-46/h4*1-30H |
| InChIKey | GSCMEFMETJDCST-UHFFFAOYSA-N |
| XLogP | 54.85 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2491.07 |
| LogP ≤ 5 | 54.85 |
| 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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