C288H180O6 — CID 161467576
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 161467576) has the molecular formula C288H180O6 and a molecular weight of 3736.60 g/mol. Its IUPAC name is 2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
| Compound Name | 2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran |
|---|---|
| PubChem CID | 161467576 |
| Molecular Formula | C288H180O6 |
| Molecular Weight | 3736.60 g/mol |
| Exact Mass | 3733.38 |
| IUPAC Name | 2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran |
| SMILES | c1cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)cc3)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/6C48H30O/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;1-2-12-34-29-35(28-25-31(34)11-1)32-23-26-33(27-24-32)46-40-16-3-5-18-42(40)47(43-19-6-4-17-41(43)46)37-14-9-13-36(30-37)38-20-10-21-44-39-15-7-8-22-45(39)49-48(38)44;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;1-2-11-34-28-36(25-22-31(34)10-1)32-20-23-33(24-21-32)47-40-15-3-5-17-42(40)48(43-18-6-4-16-41(43)47)38-13-9-12-35(29-38)37-26-27-46-44(30-37)39-14-7-8-19-45(39)49-46;1-2-11-36-30-37(29-22-31(36)10-1)32-20-25-34(26-21-32)46-40-13-3-5-15-42(40)47(43-16-6-4-14-41(43)46)35-27-23-33(24-28-35)38-17-9-18-44-39-12-7-8-19-45(39)49-48(38)44;1-2-10-36-29-37(26-21-31(36)9-1)32-17-22-34(23-18-32)47-40-12-3-5-14-42(40)48(43-15-6-4-13-41(43)47)35-24-19-33(20-25-35)38-27-28-46-44(30-38)39-11-7-8-16-45(39)49-46/h6*1-30H |
| InChIKey | WCQKNWBHIBXKJP-UHFFFAOYSA-N |
| XLogP | 82.28 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 294 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3736.60 |
| LogP ≤ 5 | 82.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|