C234H144O6 — CID 161162681
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-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-phenylanthracen-9-yl)dibenzofuran (PubChem CID 161162681) has the molecular formula C234H144O6 and a molecular weight of 3051.72 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-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-phenylanthracen-9-yl)dibenzofuran.
| Compound Name | 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-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-phenylanthracen-9-yl)dibenzofuran |
|---|---|
| PubChem CID | 161162681 |
| Molecular Formula | C234H144O6 |
| Molecular Weight | 3051.72 g/mol |
| Exact Mass | 3049.10 |
| IUPAC Name | 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-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-phenylanthracen-9-yl)dibenzofuran |
| SMILES | c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc13)c1ccccc12.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/3C42H26O.C40H24O.C36H22O.C32H20O/c1-2-15-31-27(11-1)12-10-21-32(31)28-13-9-14-29(25-28)41-34-17-3-5-19-36(34)42(37-20-6-4-18-35(37)41)30-23-24-40-38(26-30)33-16-7-8-22-39(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;1-2-12-28-25-29(22-21-27(28)11-1)31-13-3-4-15-33(31)42-36-18-7-5-16-34(36)41(35-17-6-8-19-37(35)42)30-23-24-40-38(26-30)32-14-9-10-20-39(32)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;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34;1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h3*1-26H;1-24H;1-22H;1-20H |
| InChIKey | UQCXLERJEIYNSF-UHFFFAOYSA-N |
| XLogP | 67.28 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3051.72 |
| LogP ≤ 5 | 67.28 |
| 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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