C192H120O4 — CID 163870537
2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 163870537) has the molecular formula C192H120O4 and a molecular weight of 2491.07 g/mol. Its IUPAC name is 2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran.
| Compound Name | 2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran |
|---|---|
| PubChem CID | 163870537 |
| Molecular Formula | C192H120O4 |
| Molecular Weight | 2491.07 g/mol |
| Exact Mass | 2488.92 |
| IUPAC Name | 2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran |
| SMILES | c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccccc5-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3c2)cc1 |
| InChI | InChI=1S/4C48H30O/c1-2-12-31(13-3-1)34-25-24-32-14-11-22-42(43(32)29-34)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)36-16-10-15-33(28-36)35-26-27-46-44(30-35)37-17-8-9-23-45(37)49-46;1-2-11-31(12-3-1)35-26-23-33-13-10-19-43(44(33)29-35)48-41-17-6-4-15-39(41)47(40-16-5-7-18-42(40)48)34-24-21-32(22-25-34)36-27-28-38-37-14-8-9-20-45(37)49-46(38)30-36;1-2-11-31(12-3-1)35-26-23-33-13-10-19-42(43(33)29-35)48-40-17-6-4-15-38(40)47(39-16-5-7-18-41(39)48)34-24-21-32(22-25-34)36-27-28-46-44(30-36)37-14-8-9-20-45(37)49-46;1-2-13-31(14-3-1)33-26-25-32-15-12-23-42(43(32)29-33)48-40-21-8-6-19-38(40)47(39-20-7-9-22-41(39)48)37-18-5-4-16-35(37)34-27-28-46-44(30-34)36-17-10-11-24-45(36)49-46/h4*1-30H |
| InChIKey | PKKATYARDCZPEU-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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