C340H208O6 — CID 158529247
1-(10-deuterioanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-1-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 158529247) has the molecular formula C340H208O6 and a molecular weight of 4390.40 g/mol. Its IUPAC name is 1-(10-deuterioanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-1-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran.
| Compound Name | 1-(10-deuterioanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-1-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 158529247 |
| Molecular Formula | C340H208O6 |
| Molecular Weight | 4390.40 g/mol |
| Exact Mass | 4386.60 |
| IUPAC Name | 1-(10-deuterioanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-1-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-(10-phenylanthracen-9-yl)-6-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran |
| SMILES | [2H]c1c2ccccc2c(-c2cccc3oc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc67)cccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cccc5c34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4oc4cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c45)c4ccccc34)c2)cc1 |
| InChI | InChI=1S/2C62H38O.C58H36O.2C56H34O.C46H28O/c1-3-19-39(20-4-1)41-37-38-52(43-24-8-7-23-42(41)43)58-48-29-13-15-31-50(48)60(51-32-16-14-30-49(51)58)54-34-17-35-55-61-53(33-18-36-56(61)63-62(54)55)59-46-27-11-9-25-44(46)57(40-21-5-2-6-22-40)45-26-10-12-28-47(45)59;1-2-18-41(19-3-1)57-45-22-6-10-26-49(45)59(50-27-11-7-23-46(50)57)53-31-16-34-56-61(53)55-33-15-32-54(62(55)63-56)60-51-28-12-8-24-47(51)58(48-25-9-13-29-52(48)60)42-37-35-40(36-38-42)44-30-14-20-39-17-4-5-21-43(39)44;1-3-18-37(19-4-1)39-22-15-23-40(36-39)54-43-26-9-13-30-47(43)56(48-31-14-10-27-44(48)54)50-33-16-34-51-57-49(32-17-35-52(57)59-58(50)51)55-45-28-11-7-24-41(45)53(38-20-5-2-6-21-38)42-25-8-12-29-46(42)55;1-2-17-36(18-3-1)51-39-20-6-10-24-43(39)53(44-25-11-7-21-40(44)51)47-28-15-31-50-55(47)49-30-14-29-48(56(49)57-50)54-45-26-12-8-22-41(45)52(42-23-9-13-27-46(42)54)38-33-32-35-16-4-5-19-37(35)34-38;1-2-18-36(19-3-1)51-39-22-6-8-24-41(39)53(42-25-9-7-23-40(42)51)47-31-16-34-50-55(47)49-33-15-32-48(56(49)57-50)54-45-28-12-10-26-43(45)52(44-27-11-13-29-46(44)54)38-30-14-20-35-17-4-5-21-37(35)38;1-2-14-29(15-3-1)42-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)42)39-25-12-26-40-45-38(24-13-27-41(45)47-46(39)40)43-32-18-6-4-16-30(32)28-31-17-5-7-19-33(31)43/h2*1-38H;1-36H;2*1-34H;1-28H/i;;;;;28D |
| InChIKey | HNDXZUAJZTYWOO-YWYOCADQSA-N |
| XLogP | 97.15 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 346 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4390.40 |
| LogP ≤ 5 | 97.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |