C120H74O3 — CID 165011189
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 165011189) has the molecular formula C120H74O3 and a molecular weight of 1563.91 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran.
| Compound Name | 2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 165011189 |
| Molecular Formula | C120H74O3 |
| Molecular Weight | 1563.91 g/mol |
| Exact Mass | 1562.56 |
| IUPAC Name | 2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran |
| SMILES | c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/2C42H26O.C36H22O/c1-2-11-30-26-31(25-22-27(30)10-1)28-20-23-29(24-21-28)40-33-13-3-5-15-35(33)41(36-16-6-4-14-34(36)40)38-18-9-17-37-32-12-7-8-19-39(32)43-42(37)38;1-2-10-30-25-32(22-19-27(30)9-1)42-36-14-5-3-12-34(36)41(35-13-4-6-15-37(35)42)29-20-17-28(18-21-29)31-23-24-40-38(26-31)33-11-7-8-16-39(33)43-40;1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h2*1-26H;1-22H |
| InChIKey | JSRLYLFAGMEYTH-UHFFFAOYSA-N |
| XLogP | 34.47 |
| TPSA | 39.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 123 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1563.91 |
| LogP ≤ 5 | 34.47 |
| 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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