C148H92O3 — CID 165098600
6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran (PubChem CID 165098600) has the molecular formula C148H92O3 and a molecular weight of 1918.36 g/mol. Its IUPAC name is 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran.
| Compound Name | 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran |
|---|---|
| PubChem CID | 165098600 |
| Molecular Formula | C148H92O3 |
| Molecular Weight | 1918.36 g/mol |
| Exact Mass | 1916.70 |
| IUPAC Name | 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6cccc7ccccc67)cccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccccc34)cc3c2oc2ccccc23)cc1.c1ccc(-c2cc3oc4ccccc4c3cc2-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C52H32O.2C48H30O/c1-2-15-35-31-36(28-27-33(35)13-1)39-18-5-6-19-41(39)51-44-22-9-7-20-42(44)50(43-21-8-10-23-45(43)51)37-29-30-49-48(32-37)47-26-12-25-46(52(47)53-49)40-24-11-16-34-14-3-4-17-38(34)40;1-2-15-32(16-3-1)43-29-35(30-44-37-19-12-13-25-45(37)49-48(43)44)46-39-21-8-10-23-41(39)47(42-24-11-9-22-40(42)46)38-20-7-6-18-36(38)34-27-26-31-14-4-5-17-33(31)28-34;1-2-15-32(16-3-1)42-30-46-43(36-19-12-13-25-45(36)49-46)29-44(42)48-40-23-10-8-21-38(40)47(39-22-9-11-24-41(39)48)37-20-7-6-18-35(37)34-27-26-31-14-4-5-17-33(31)28-34/h1-32H;2*1-30H |
| InChIKey | XXXMKQRLECYACQ-UHFFFAOYSA-N |
| XLogP | 42.29 |
| TPSA | 39.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 151 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1918.36 |
| LogP ≤ 5 | 42.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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