C321H212N8O16S6 — CID 159218608
3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one (PubChem CID 159218608) has the molecular formula C321H212N8O16S6 and a molecular weight of 4629.67 g/mol. Its IUPAC name is 3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one.
| Compound Name | 3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one |
|---|---|
| PubChem CID | 159218608 |
| Molecular Formula | C321H212N8O16S6 |
| Molecular Weight | 4629.67 g/mol |
| Exact Mass | 4625.43 |
| IUPAC Name | 3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one |
| SMILES | CC(C)c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2ccccc21.CC(C)c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2N(c2ccc3c(=O)c4ccccc4oc3c2)c2ccccc21.CC(C)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2ccccc21.CC(C)c1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2N(c2ccc3c(=O)c4ccccc4oc3c2)c2ccccc21.O=c1c2ccc(N3c4ccccc4C4(c5ccccc5Sc5ccccc54)c4ccccc43)cc2oc2cc(N3c4ccccc4C4(c5ccccc5Sc5ccccc54)c4ccccc43)ccc12.O=c1c2ccccc2oc2cc(-c3ccc(N4c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3)ccc12.O=c1c2ccccc2oc2cc(N3c4ccccc4C4(c5ccccc5Sc5ccccc54)c4ccccc43)ccc12 |
| InChI | InChI=1S/C63H38N2O2S2.C47H33NO3.C47H33NO2S.C44H27NO2S.C41H29NO3.C41H29NO2S.C38H23NO2S/c66-61-41-35-33-39(64-51-25-9-1-17-43(51)62(44-18-2-10-26-52(44)64)47-21-5-13-29-57(47)68-58-30-14-6-22-48(58)62)37-55(41)67-56-38-40(34-36-42(56)61)65-53-27-11-3-19-45(53)63(46-20-4-12-28-54(46)65)49-23-7-15-31-59(49)69-60-32-16-8-24-50(60)63;1-29(2)31-22-26-44-39(27-31)47(38-14-6-10-18-43(38)51-44)36-12-4-7-15-40(36)48(41-16-8-5-13-37(41)47)33-23-19-30(20-24-33)32-21-25-35-45(28-32)50-42-17-9-3-11-34(42)46(35)49;1-29(2)31-22-26-45-39(27-31)47(38-14-6-10-18-44(38)51-45)36-12-4-7-15-40(36)48(41-16-8-5-13-37(41)47)33-23-19-30(20-24-33)32-21-25-35-43(28-32)50-42-17-9-3-11-34(42)46(35)49;46-43-31-11-1-8-18-39(31)47-40-27-29(23-26-32(40)43)28-21-24-30(25-22-28)45-37-16-6-2-12-33(37)44(34-13-3-7-17-38(34)45)35-14-4-9-19-41(35)48-42-20-10-5-15-36(42)44;1-25(2)26-19-22-38-33(23-26)41(32-14-6-10-18-37(32)45-38)30-12-4-7-15-34(30)42(35-16-8-5-13-31(35)41)27-20-21-29-39(24-27)44-36-17-9-3-11-28(36)40(29)43;1-25(2)26-19-22-39-33(23-26)41(32-14-6-10-18-38(32)45-39)30-12-4-7-15-34(30)42(35-16-8-5-13-31(35)41)27-20-21-29-37(24-27)44-36-17-9-3-11-28(36)40(29)43;40-37-25-11-1-8-18-33(25)41-34-23-24(21-22-26(34)37)39-31-16-6-2-12-27(31)38(28-13-3-7-17-32(28)39)29-14-4-9-19-35(29)42-36-20-10-5-15-30(36)38/h1-38H;2*3-29H,1-2H3;1-27H;2*3-25H,1-2H3;1-23H |
| InChIKey | KRJZOXJFZFQCEW-UHFFFAOYSA-N |
| XLogP | 82.44 |
| TPSA | 255.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 351 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4629.67 |
| LogP ≤ 5 | 82.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |