[5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate

C181H200F36N6O19 — CID 158432829

About [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate

[5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate (PubChem CID 158432829) has the molecular formula C181H200F36N6O19 and a molecular weight of 3447.54 g/mol. Its IUPAC name is [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate.

Molecular Properties

• Compound Name: [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate
• PubChem CID: 158432829
• Molecular Formula: C181H200F36N6O19
• Molecular Weight: 3447.54 g/mol
• Exact Mass: 3445.43
• IUPAC Name: [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate
• SMILES: C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CC)cc3)n(CCCCC)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(C(C)C)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CCC(C)C)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CCCC(C)C)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CC)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccccc3)n(C)c2c1
• InChI: InChI=1S/C35H43F6NO3.C33H39F6NO3.C31H35F6NO3.C30H33F6NO4.C29H31F6NO3.C23H19F6NO3/c1-6-9-10-13-25-14-17-29(26(7-2)19-25)31-20-27-15-16-28(21-30(27)42(31)18-11-12-24(4)5)44-22-33(36,37)35(40,41)34(38,39)23-45-32(43)8-3;1-6-8-9-10-24-11-14-27(23(5)17-24)29-18-25-12-13-26(19-28(25)40(29)16-15-22(3)4)42-20-31(34,35)33(38,39)32(36,37)21-43-30(41)7-2;1-6-8-9-10-22-11-14-25(21(5)15-22)27-16-23-12-13-24(17-26(23)38(27)20(3)4)40-18-29(32,33)31(36,37)30(34,35)19-41-28(39)7-2;1-5-8-9-10-20-11-14-23(26(15-20)39-4)25-16-21-12-13-22(17-24(21)37(25)7-3)40-18-28(31,32)30(35,36)29(33,34)19-41-27(38)6-2;1-4-7-8-15-36-24(21-11-9-20(5-2)10-12-21)16-22-13-14-23(17-25(22)36)38-18-27(30,31)29(34,35)28(32,33)19-39-26(37)6-3;1-3-20(31)33-14-22(26,27)23(28,29)21(24,25)13-32-17-10-9-16-11-18(30(2)19(16)12-17)15-7-5-4-6-8-15/h8,14-17,19-21,24H,3,6-7,9-13,18,22-23H2,1-2,4-5H3;7,11-14,17-19,22H,2,6,8-10,15-16,20-21H2,1,3-5H3;7,11-17,20H,2,6,8-10,18-19H2,1,3-5H3;6,11-17H,2,5,7-10,18-19H2,1,3-4H3;6,9-14,16-17H,3-5,7-8,15,18-19H2,1-2H3;3-12H,1,13-14H2,2H3
• InChIKey: HBWFULHQXJGQFJ-UHFFFAOYSA-N
• XLogP: 50.42
• TPSA: 251.99 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 86
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3447.54
LogP ≤ 5	50.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate?

The IUPAC name of [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate (CID 158432829) is [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate.

What is the SMILES notation for [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate?

The canonical SMILES for [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate is C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CC)cc3)n(CCCCC)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(C(C)C)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3C)n(CCC(C)C)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CCCC(C)C)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CC)c2c1.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccccc3)n(C)c2c1.

What is the InChIKey of [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate?

The InChIKey is HBWFULHQXJGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F6NO3.C33H39F6NO3.C31H35F6NO3.C30H33F6NO4.C29H31F6NO3.C23H19F6NO3/c1-6-9-10-13-25-14-17-29(26(7-2)19-25)31-20-27-15-16-28(21-30(27)42(31)18-11-12-24(4)5)44-22-33(36,37)35(40,41)34(38,39)23-45-32(43)8-3;1-6-8-9-10-24-11-14-27(23(5)17-24)29-18-25-12-13-26(19-28(25)40(29)16-15-22(3)4)42-20-31(34,35)33(38,39)32(36,37)21-43-30(41)7-2;1-6-8-9-10-22-11-14-25(21(5)15-22)27-16-23-12-13-24(17-26(23)38(27)20(3)4)40-18-29(32,33)31(36,37)30(34,35)19-41-28(39)7-2;1-5-8-9-10-20-11-14-23(26(15-20)39-4)25-16-21-12-13-22(17-24(21)37(25)7-3)40-18-28(31,32)30(35,36)29(33,34)19-41-27(38)6-2;1-4-7-8-15-36-24(21-11-9-20(5-2)10-12-21)16-22-13-14-23(17-25(22)36)38-18-27(30,31)29(34,35)28(32,33)19-39-26(37)6-3;1-3-20(31)33-14-22(26,27)23(28,29)21(24,25)13-32-17-10-9-16-11-18(30(2)19(16)12-17)15-7-5-4-6-8-15/h8,14-17,19-21,24H,3,6-7,9-13,18,22-23H2,1-2,4-5H3;7,11-14,17-19,22H,2,6,8-10,15-16,20-21H2,1,3-5H3;7,11-17,20H,2,6,8-10,18-19H2,1,3-5H3;6,11-17H,2,5,7-10,18-19H2,1,3-4H3;6,9-14,16-17H,3-5,7-8,15,18-19H2,1-2H3;3-12H,1,13-14H2,2H3.

What are the key properties of [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate?

[5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate has a molecular weight of 3447.54 g/mol, XLogP of 50.42, 86 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(2-ethyl-4-pentylphenyl)-1-(4-methylpentyl)indol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[2-(4-ethylphenyl)-1-pentylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[1-(3-methylbutyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-phenylindol-6-yl)oxypentyl] prop-2-enoate is sourced from PubChem (CID 158432829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).