C218H168N8O2S2 — CID 160700685
2-(10-dibenzofuran-4-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-naphthalen-1-ylacridine;2-[10-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-naphthalen-2-ylacridine;2-[10-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine;2-[10-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 160700685) has the molecular formula C218H168N8O2S2 and a molecular weight of 2995.93 g/mol. Its IUPAC name is 2-(10-dibenzofuran-4-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-naphthalen-1-ylacridine;2-[10-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-naphthalen-2-ylacridine;2-[10-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine;2-[10-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine.
| Compound Name | 2-(10-dibenzofuran-4-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-naphthalen-1-ylacridine;2-[10-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-naphthalen-2-ylacridine;2-[10-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine;2-[10-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine |
|---|---|
| PubChem CID | 160700685 |
| Molecular Formula | C218H168N8O2S2 |
| Molecular Weight | 2995.93 g/mol |
| Exact Mass | 2993.27 |
| IUPAC Name | 2-(10-dibenzofuran-4-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-naphthalen-1-ylacridine;2-[10-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-naphthalen-2-ylacridine;2-[10-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine;2-[10-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethylacridin-2-yl]-9,9-dimethyl-10-phenylacridine |
| SMILES | CC1(C)c2ccccc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3cccc4c3oc3ccccc34)cc21.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21.CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21 |
| InChI | InChI=1S/C58H44N2O.2C54H42N2S.C52H40N2O/c1-57(2)47-19-8-10-21-51(47)59(42-29-25-38(26-30-42)44-17-13-18-46-45-16-7-12-23-55(45)61-56(44)46)53-32-27-40(35-49(53)57)41-28-33-54-50(36-41)58(3,4)48-20-9-11-22-52(48)60(54)43-31-24-37-14-5-6-15-39(37)34-43;1-53(2)43-20-9-11-22-47(43)55(38-15-6-5-7-16-38)49-31-27-36(33-45(49)53)37-28-32-50-46(34-37)54(3,4)44-21-10-12-23-48(44)56(50)39-29-25-35(26-30-39)40-18-14-19-42-41-17-8-13-24-51(41)57-52(40)42;1-53(2)43-17-9-11-19-47(43)55(39-14-6-5-7-15-39)49-29-24-37(33-45(49)53)38-25-30-50-46(34-38)54(3,4)44-18-10-12-20-48(44)56(50)40-27-22-35(23-28-40)36-26-31-52-42(32-36)41-16-8-13-21-51(41)57-52;1-51(2)39-20-8-10-22-44(39)53(43-24-13-16-33-15-5-6-17-36(33)43)46-29-27-34(31-41(46)51)35-28-30-47-42(32-35)52(3,4)40-21-9-11-23-45(40)54(47)48-25-14-19-38-37-18-7-12-26-49(37)55-50(38)48/h5-36H,1-4H3;2*5-34H,1-4H3;5-32H,1-4H3 |
| InChIKey | RQOOZZRLYJRQMJ-UHFFFAOYSA-N |
| XLogP | 62.13 |
| TPSA | 52.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2995.93 |
| LogP ≤ 5 | 62.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |