C175H171F7N8O30 — CID 161215858
2-[6-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[6-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetic acid;2-methyl-2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxypropanoic acid;2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;3-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid (PubChem CID 161215858) has the molecular formula C175H171F7N8O30 and a molecular weight of 2999.30 g/mol. Its IUPAC name is 2-[6-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[6-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetic acid;2-methyl-2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxypropanoic acid;2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;3-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid.
| Compound Name | 2-[6-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[6-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetic acid;2-methyl-2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxypropanoic acid;2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;3-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid |
|---|---|
| PubChem CID | 161215858 |
| Molecular Formula | C175H171F7N8O30 |
| Molecular Weight | 2999.30 g/mol |
| Exact Mass | 2997.20 |
| IUPAC Name | 2-[6-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[6-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propoxy]indol-1-yl]acetic acid;2-methyl-2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxypropanoic acid;2-[1-[3-[(2-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propyl]indol-4-yl]oxyacetic acid;2-[5-[3-[[7-propyl-3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;3-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]propanoic acid |
| SMILES | CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(=O)C(F)(F)F)c[nH]c12.CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2cc(C(=O)c3ccccc3)ccc12.CCCc1c(OCCCOc2cccc3c2ccn3CCC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCn2ccc3c(OC(C)(C)C(=O)O)cccc32)ccc2cc(-c3ccccc3)oc12.CCCc1c(OCCCn2ccc3c(OCC(=O)O)cccc32)ccc2cc(-c3ccccc3)oc12.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2ccn(CC(=O)O)c2c1 |
| InChI | InChI=1S/C33H31NO5.C32H33NO5.C30H29NO5.C29H28FNO5.C26H25F3N2O5.C25H25F3N2O5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)39-19-6-18-38-27-13-10-23-16-17-34(22-32(35)36)30(23)21-27;1-4-10-25-27(16-15-23-21-29(37-30(23)25)22-11-6-5-7-12-22)36-20-9-18-33-19-17-24-26(33)13-8-14-28(24)38-32(2,3)31(34)35;1-2-8-24-27(14-13-22-19-28(36-30(22)24)21-9-4-3-5-10-21)34-18-7-16-31-17-15-23-25(31)11-6-12-26(23)35-20-29(32)33;1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25;1-2-4-19-22(8-6-18-20(14-30-24(18)19)25(34)26(27,28)29)36-12-3-11-35-17-5-7-21-16(13-17)9-10-31(21)15-23(32)33;1-2-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-15-4-14-33-20-7-3-6-19-16(20)10-12-30(19)13-11-22(31)32/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36);5-8,11-17,19,21H,4,9-10,18,20H2,1-3H3,(H,34,35);3-6,9-15,17,19H,2,7-8,16,18,20H2,1H3,(H,32,33);5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33);5-10,13-14,30H,2-4,11-12,15H2,1H3,(H,32,33);3,6-10,12H,2,4-5,11,13-15H2,1H3,(H,31,32) |
| InChIKey | UWVWEONLTAVYRG-UHFFFAOYSA-N |
| XLogP | 39.29 |
| TPSA | 483.45 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2999.30 |
| LogP ≤ 5 | 39.29 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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