C170H148Cl6N6O18 — CID 161378242
(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-phenacylindol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-phenacylindol-2-one (PubChem CID 161378242) has the molecular formula C170H148Cl6N6O18 and a molecular weight of 2775.80 g/mol. Its IUPAC name is (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-phenacylindol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-phenacylindol-2-one.
| Compound Name | (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-phenacylindol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-phenacylindol-2-one |
|---|---|
| PubChem CID | 161378242 |
| Molecular Formula | C170H148Cl6N6O18 |
| Molecular Weight | 2775.80 g/mol |
| Exact Mass | 2770.90 |
| IUPAC Name | (3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(3-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-hydroxy-3-phenacylindol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[3-(3H-inden-1-yl)propyl]-3-phenacylindol-2-one |
| SMILES | Cc1cccc(C(=O)C[C@]2(O)C(=O)N(CCCC3=CCc4ccc(Cl)cc43)c3ccccc32)c1.Cc1cccc(C(=O)C[C@]2(O)C(=O)N(CCCC3=CCc4ccccc43)c3ccccc32)c1.O=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccc(Cl)cc32)c2ccccc21)c1ccc(Cl)cc1.O=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccc(Cl)cc32)c2ccccc21)c1cccc(Cl)c1.O=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccc(Cl)cc32)c2ccccc21)c1ccccc1.O=C(C[C@]1(O)C(=O)N(CCCC2=CCc3ccccc32)c2ccccc21)c1ccccc1 |
| InChI | InChI=1S/C29H26ClNO3.C29H27NO3.2C28H23Cl2NO3.C28H24ClNO3.C28H25NO3/c1-19-6-4-7-22(16-19)27(32)18-29(34)25-9-2-3-10-26(25)31(28(29)33)15-5-8-20-11-12-21-13-14-23(30)17-24(20)21;1-20-8-6-10-23(18-20)27(31)19-29(33)25-13-4-5-14-26(25)30(28(29)32)17-7-11-22-16-15-21-9-2-3-12-24(21)22;29-21-7-3-5-20(15-21)26(32)17-28(34)24-8-1-2-9-25(24)31(27(28)33)14-4-6-18-10-11-19-12-13-22(30)16-23(18)19;29-21-12-10-20(11-13-21)26(32)17-28(34)24-5-1-2-6-25(24)31(27(28)33)15-3-4-18-7-8-19-9-14-22(30)16-23(18)19;29-22-15-14-20-13-12-19(23(20)17-22)9-6-16-30-25-11-5-4-10-24(25)28(33,27(30)32)18-26(31)21-7-2-1-3-8-21;30-26(22-10-2-1-3-11-22)19-28(32)24-14-6-7-15-25(24)29(27(28)31)18-8-12-21-17-16-20-9-4-5-13-23(20)21/h2-4,6-7,9-11,13-14,16-17,34H,5,8,12,15,18H2,1H3;2-6,8-10,12-14,16,18,33H,7,11,15,17,19H2,1H3;1-3,5,7-10,12-13,15-16,34H,4,6,11,14,17H2;1-2,5-7,9-14,16,34H,3-4,8,15,17H2;1-5,7-8,10-12,14-15,17,33H,6,9,13,16,18H2;1-7,9-11,13-15,17,32H,8,12,16,18-19H2/t2*29-;4*28-/m111111/s1 |
| InChIKey | VRJCUTZCECZSKQ-IJVCXCLGSA-N |
| XLogP | 34.02 |
| TPSA | 345.66 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2775.80 |
| LogP ≤ 5 | 34.02 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |