C244H148O6 — CID 157264564
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 157264564) has the molecular formula C244H148O6 and a molecular weight of 3175.86 g/mol. Its IUPAC name is 1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.
| Compound Name | 1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 157264564 |
| Molecular Formula | C244H148O6 |
| Molecular Weight | 3175.86 g/mol |
| Exact Mass | 3173.13 |
| IUPAC Name | 1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cccc4oc5ccccc5c34)c3ccccc13)c1ccccc12 |
| InChI | InChI=1S/2C42H26O.4C40H24O/c1-2-13-27(14-3-1)28-25-26-36(30-16-5-4-15-29(28)30)40-32-18-6-8-20-34(32)41(35-21-9-7-19-33(35)40)38-23-12-22-37-31-17-10-11-24-39(31)43-42(37)38;1-2-12-27(13-3-1)29-24-25-38(31-15-5-4-14-30(29)31)42-36-19-8-6-17-34(36)41(35-18-7-9-20-37(35)42)28-22-23-33-32-16-10-11-21-39(32)43-40(33)26-28;1-2-13-26-25(12-1)24-36(28-15-4-3-14-27(26)28)39-32-19-7-5-17-30(32)38(31-18-6-8-20-33(31)39)35-22-11-21-34-29-16-9-10-23-37(29)41-40(34)35;1-2-13-26-25(12-1)24-35(28-15-4-3-14-27(26)28)39-31-18-7-5-16-29(31)38(30-17-6-8-19-32(30)39)34-21-11-23-37-40(34)33-20-9-10-22-36(33)41-37;1-2-12-27-25(11-1)23-36(29-14-4-3-13-28(27)29)40-34-18-7-5-16-32(34)39(33-17-6-8-19-35(33)40)26-21-22-31-30-15-9-10-20-37(30)41-38(31)24-26;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/h2*1-26H;4*1-24H |
| InChIKey | AXVRZJVOVXRCOZ-UHFFFAOYSA-N |
| XLogP | 70.22 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 250 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3175.86 |
| LogP ≤ 5 | 70.22 |
| 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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