C236H146O6 — CID 160678336
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 160678336) has the molecular formula C236H146O6 and a molecular weight of 3077.76 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran.
| Compound Name | 2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 160678336 |
| Molecular Formula | C236H146O6 |
| Molecular Weight | 3077.76 g/mol |
| Exact Mass | 3075.11 |
| IUPAC Name | 2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran |
| SMILES | c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/2C42H26O.C40H24O.2C38H24O.C36H22O/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40;1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;1-2-12-27-25(11-1)23-36(29-14-4-3-13-28(27)29)40-33-18-7-5-16-31(33)39(32-17-6-8-19-34(32)40)26-21-22-38-35(24-26)30-15-9-10-20-37(30)41-38;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36;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;1-24H;2*1-24H;1-22H |
| InChIKey | RNUVYQURMKGCCB-UHFFFAOYSA-N |
| XLogP | 67.79 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 242 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3077.76 |
| LogP ≤ 5 | 67.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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