2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid

C160H155F6N13O28 — CID 159094729

IUPAC2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid
SMILESCCCc1c(OCC(C)COc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3C(CC)C(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)noc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C#N)c[nH]c12.O=C(O)Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21.[C-]#[N+]c1c[nH]c2c(CCC)c(OCCCOc3ccc4c(ccn4CC(=O)O)c3)ccc12
InChIInChI=1S/C30H25NO5.C29H28N2O5.C26H27F3N2O5.C25H25F3N2O5.2C25H25N3O4/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22;1-2-8-22-26(14-13-23-28(30-36-29(22)23)20-9-4-3-5-10-20)35-18-7-17-34-25-12-6-11-24-21(25)15-16-31(24)19-27(32)33;1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33;1-3-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-14-15(2)13-33-20-7-4-6-19-16(20)10-11-30(19)12-22(31)32;1-3-5-20-23(9-7-19-21(26-2)15-27-25(19)20)32-13-4-12-31-18-6-8-22-17(14-18)10-11-28(22)16-24(29)30;1-2-4-21-23(8-6-20-18(14-26)15-27-25(20)21)31-12-3-10-28-11-9-17-13-19(5-7-22(17)28)32-16-24(29)30/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33);3-6,9-16H,2,7-8,17-19H2,1H3,(H,32,33);5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33);4,6-11,15H,3,5,12-14H2,1-2H3,(H,31,32);6-11,14-15,27H,3-5,12-13,16H2,1H3,(H,29,30);5-9,11,13,15,27H,2-4,10,12,16H2,1H3,(H,29,30)
InChIKeyKCNFSOAGAHYQCD-UHFFFAOYSA-N
MW2822.05 g/mol
LogP35.30
Rot. Bonds62

About 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid

2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid (PubChem CID 159094729) has the molecular formula C160H155F6N13O28 and a molecular weight of 2822.05 g/mol. Its IUPAC name is 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid
PubChem CID159094729
Molecular FormulaC160H155F6N13O28
Molecular Weight2822.05 g/mol
Exact Mass2820.10
IUPAC Name2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid
SMILESCCCc1c(OCC(C)COc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3C(CC)C(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)noc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C#N)c[nH]c12.O=C(O)Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21.[C-]#[N+]c1c[nH]c2c(CCC)c(OCCCOc3ccc4c(ccn4CC(=O)O)c3)ccc12
InChIInChI=1S/C30H25NO5.C29H28N2O5.C26H27F3N2O5.C25H25F3N2O5.2C25H25N3O4/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22;1-2-8-22-26(14-13-23-28(30-36-29(22)23)20-9-4-3-5-10-20)35-18-7-17-34-25-12-6-11-24-21(25)15-16-31(24)19-27(32)33;1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33;1-3-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-14-15(2)13-33-20-7-4-6-19-16(20)10-11-30(19)12-22(31)32;1-3-5-20-23(9-7-19-21(26-2)15-27-25(19)20)32-13-4-12-31-18-6-8-22-17(14-18)10-11-28(22)16-24(29)30;1-2-4-21-23(8-6-20-18(14-26)15-27-25(20)21)31-12-3-10-28-11-9-17-13-19(5-7-22(17)28)32-16-24(29)30/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33);3-6,9-16H,2,7-8,17-19H2,1H3,(H,32,33);5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33);4,6-11,15H,3,5,12-14H2,1-2H3,(H,31,32);6-11,14-15,27H,3-5,12-13,16H2,1H3,(H,29,30);5-9,11,13,15,27H,2-4,10,12,16H2,1H3,(H,29,30)
InChIKeyKCNFSOAGAHYQCD-UHFFFAOYSA-N
XLogP35.30
TPSA519.03 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds62
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002822.05
LogP ≤ 535.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid?
The IUPAC name of 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid (CID 159094729) is 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid.
What is the SMILES notation for 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid?
The canonical SMILES for 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid is CCCc1c(OCC(C)COc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3C(CC)C(=O)O)ccc2c(C(F)(F)F)noc12.CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)noc12.CCCc1c(OCCCn2ccc3cc(OCC(=O)O)ccc32)ccc2c(C#N)c[nH]c12.O=C(O)Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21.[C-]#[N+]c1c[nH]c2c(CCC)c(OCCCOc3ccc4c(ccn4CC(=O)O)c3)ccc12.
What is the InChIKey of 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid?
The InChIKey is KCNFSOAGAHYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO5.C29H28N2O5.C26H27F3N2O5.C25H25F3N2O5.2C25H25N3O4/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22;1-2-8-22-26(14-13-23-28(30-36-29(22)23)20-9-4-3-5-10-20)35-18-7-17-34-25-12-6-11-24-21(25)15-16-31(24)19-27(32)33;1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33;1-3-5-17-21(9-8-18-23(17)35-29-24(18)25(26,27)28)34-14-15(2)13-33-20-7-4-6-19-16(20)10-11-30(19)12-22(31)32;1-3-5-20-23(9-7-19-21(26-2)15-27-25(19)20)32-13-4-12-31-18-6-8-22-17(14-18)10-11-28(22)16-24(29)30;1-2-4-21-23(8-6-20-18(14-26)15-27-25(20)21)31-12-3-10-28-11-9-17-13-19(5-7-22(17)28)32-16-24(29)30/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33);3-6,9-16H,2,7-8,17-19H2,1H3,(H,32,33);5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33);4,6-11,15H,3,5,12-14H2,1-2H3,(H,31,32);6-11,14-15,27H,3-5,12-13,16H2,1H3,(H,29,30);5-9,11,13,15,27H,2-4,10,12,16H2,1H3,(H,29,30).
What are the key properties of 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid?
2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid has a molecular weight of 2822.05 g/mol, XLogP of 35.30, 62 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(6-benzoylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;2-[1-[3-[(3-cyano-7-propyl-1H-indol-6-yl)oxy]propyl]indol-5-yl]oxyacetic acid;2-[5-[3-[(3-isocyano-7-propyl-1H-indol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[2-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy]indol-1-yl]acetic acid;2-[4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propoxy]indol-1-yl]butanoic acid is sourced from PubChem (CID 159094729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).