C157H157F15N12O28 — CID 160649468
2-[1-[3-[(3-phenyl-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid;4-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxybutanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxypropanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid (PubChem CID 160649468) has the molecular formula C157H157F15N12O28 and a molecular weight of 2945.01 g/mol. Its IUPAC name is 2-[1-[3-[(3-phenyl-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid;4-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxybutanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxypropanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid.
| Compound Name | 2-[1-[3-[(3-phenyl-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid;4-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxybutanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxypropanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid |
|---|---|
| PubChem CID | 160649468 |
| Molecular Formula | C157H157F15N12O28 |
| Molecular Weight | 2945.01 g/mol |
| Exact Mass | 2943.10 |
| IUPAC Name | 2-[1-[3-[(3-phenyl-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid;4-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxybutanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-5-yl]oxypropanoic acid;2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1H-indol-6-yl]oxy]propyl]indol-5-yl]oxyacetic acid |
| SMILES | CCCc1c(OCCCOc2ccc3c(ccn3C(C)C(=O)O)c2)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2ccc3cc(OC(C)C(=O)O)ccc32)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(-c3ccccc3)c[nH]c12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C(=O)C(F)(F)F)c[nH]c12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C(F)(F)F)c[nH]c12.CCCc1c(OCCCn2ccc3cc(OCCCC(=O)O)ccc32)ccc2c(C(F)(F)F)noc12 |
| InChI | InChI=1S/C30H30N2O4.C26H27F3N2O5.C26H25F3N2O5.2C25H25F3N2O5.C25H25F3N2O4/c1-2-7-25-28(13-11-24-26(19-31-30(24)25)21-8-4-3-5-9-21)35-17-6-15-32-16-14-22-18-23(10-12-27(22)32)36-20-29(33)34;1-2-5-19-22(10-8-20-24(19)36-30-25(20)26(27,28)29)35-15-4-12-31-13-11-17-16-18(7-9-21(17)31)34-14-3-6-23(32)33;1-2-4-19-22(8-6-18-20(14-30-24(18)19)25(34)26(27,28)29)35-12-3-10-31-11-9-16-13-17(5-7-21(16)31)36-15-23(32)33;1-3-5-18-21(9-7-19-22(18)35-29-23(19)25(26,27)28)34-13-4-12-33-17-6-8-20-16(14-17)10-11-30(20)15(2)24(31)32;1-3-5-18-21(9-7-19-22(18)35-29-23(19)25(26,27)28)33-13-4-11-30-12-10-16-14-17(6-8-20(16)30)34-15(2)24(31)32;1-2-4-19-22(8-6-18-20(25(26,27)28)14-29-24(18)19)33-12-3-10-30-11-9-16-13-17(5-7-21(16)30)34-15-23(31)32/h3-5,8-14,16,18-19,31H,2,6-7,15,17,20H2,1H3,(H,33,34);7-11,13,16H,2-6,12,14-15H2,1H3,(H,32,33);5-9,11,13-14,30H,2-4,10,12,15H2,1H3,(H,32,33);6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32);6-10,12,14-15H,3-5,11,13H2,1-2H3,(H,31,32);5-9,11,13-14,29H,2-4,10,12,15H2,1H3,(H,31,32) |
| InChIKey | RKFNFXNXSPEACC-UHFFFAOYSA-N |
| XLogP | 37.24 |
| TPSA | 506.67 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2945.01 |
| LogP ≤ 5 | 37.24 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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