[2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate

C239H284F30N12O28 — CID 158841738

IUPAC[2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)nc3CC)n(C)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CC)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)nc3CC)n(CC)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1)CC(F)(F)F
InChIInChI=1S/C35H46F3NO4.2C32H37F6NO4.C30H36F3NO4.3C28H33F3N2O3.C26H29F3N2O3/c1-7-9-11-13-26-14-17-29(32(19-26)41-6)31-20-27-15-16-28(21-30(27)39(31)18-12-10-8-2)42-23-34(5,22-35(36,37)38)24-43-33(40)25(3)4;1-6-8-9-10-22-11-14-25(28(15-22)43-32(36,37)38)27-16-23-12-13-24(17-26(23)39(27)7-2)41-19-30(5,18-31(33,34)35)20-42-29(40)21(3)4;1-6-8-9-10-22-11-14-25(28(15-22)43-32(36,37)38)27-16-23-12-13-24(17-26(23)39(27)21(3)4)41-19-30(5,18-31(33,34)35)20-42-29(40)7-2;1-6-8-9-10-21-11-14-24(27(15-21)36-5)26-16-22-12-13-23(17-25(22)34(26)4)37-19-29(3,18-30(31,32)33)20-38-28(35)7-2;1-7-20-10-12-22(23(8-2)32-20)25-13-19-9-11-21(14-24(19)33(25)6)35-16-27(5,15-28(29,30)31)17-36-26(34)18(3)4;1-6-20-11-13-22(23(7-2)32-20)25-14-19-10-12-21(15-24(19)33(25)9-4)35-17-27(5,16-28(29,30)31)18-36-26(34)8-3;1-5-26(34)36-19-27(4,17-28(29,30)31)18-35-23-11-10-21-14-24(22-9-6-12-32-16-22)33(25(21)15-23)13-7-8-20(2)3;1-17(2)24(32)34-16-25(5,14-26(27,28)29)15-33-21-9-8-19-11-22(20-7-6-10-30-13-20)31(18(3)4)23(19)12-21/h14-17,19-21H,3,7-13,18,22-24H2,1-2,4-6H3;11-17H,3,6-10,18-20H2,1-2,4-5H3;7,11-17,21H,2,6,8-10,18-20H2,1,3-5H3;7,11-17H,2,6,8-10,18-20H2,1,3-5H3;9-14H,3,7-8,15-17H2,1-2,4-6H3;8,10-15H,3,6-7,9,16-18H2,1-2,4-5H3;5-6,9-12,14-16,20H,1,7-8,13,17-19H2,2-4H3;6-13,18H,1,14-16H2,2-5H3
InChIKeyIYIGOGIKDXAKOC-UHFFFAOYSA-N
MW4342.90 g/mol
LogP64.04
Rot. Bonds100

About [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate

[2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate (PubChem CID 158841738) has the molecular formula C239H284F30N12O28 and a molecular weight of 4342.90 g/mol. Its IUPAC name is [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate
PubChem CID158841738
Molecular FormulaC239H284F30N12O28
Molecular Weight4342.90 g/mol
Exact Mass4340.07
IUPAC Name[2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)nc3CC)n(C)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CC)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)nc3CC)n(CC)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1)CC(F)(F)F
InChIInChI=1S/C35H46F3NO4.2C32H37F6NO4.C30H36F3NO4.3C28H33F3N2O3.C26H29F3N2O3/c1-7-9-11-13-26-14-17-29(32(19-26)41-6)31-20-27-15-16-28(21-30(27)39(31)18-12-10-8-2)42-23-34(5,22-35(36,37)38)24-43-33(40)25(3)4;1-6-8-9-10-22-11-14-25(28(15-22)43-32(36,37)38)27-16-23-12-13-24(17-26(23)39(27)7-2)41-19-30(5,18-31(33,34)35)20-42-29(40)21(3)4;1-6-8-9-10-22-11-14-25(28(15-22)43-32(36,37)38)27-16-23-12-13-24(17-26(23)39(27)21(3)4)41-19-30(5,18-31(33,34)35)20-42-29(40)7-2;1-6-8-9-10-21-11-14-24(27(15-21)36-5)26-16-22-12-13-23(17-25(22)34(26)4)37-19-29(3,18-30(31,32)33)20-38-28(35)7-2;1-7-20-10-12-22(23(8-2)32-20)25-13-19-9-11-21(14-24(19)33(25)6)35-16-27(5,15-28(29,30)31)17-36-26(34)18(3)4;1-6-20-11-13-22(23(7-2)32-20)25-14-19-10-12-21(15-24(19)33(25)9-4)35-17-27(5,16-28(29,30)31)18-36-26(34)8-3;1-5-26(34)36-19-27(4,17-28(29,30)31)18-35-23-11-10-21-14-24(22-9-6-12-32-16-22)33(25(21)15-23)13-7-8-20(2)3;1-17(2)24(32)34-16-25(5,14-26(27,28)29)15-33-21-9-8-19-11-22(20-7-6-10-30-13-20)31(18(3)4)23(19)12-21/h14-17,19-21H,3,7-13,18,22-24H2,1-2,4-6H3;11-17H,3,6-10,18-20H2,1-2,4-5H3;7,11-17,21H,2,6,8-10,18-20H2,1,3-5H3;7,11-17H,2,6,8-10,18-20H2,1,3-5H3;9-14H,3,7-8,15-17H2,1-2,4-6H3;8,10-15H,3,6-7,9,16-18H2,1-2,4-5H3;5-6,9-12,14-16,20H,1,7-8,13,17-19H2,2-4H3;6-13,18H,1,14-16H2,2-5H3
InChIKeyIYIGOGIKDXAKOC-UHFFFAOYSA-N
XLogP64.04
TPSA412.16 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds100
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004342.90
LogP ≤ 564.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate (CID 158841738) is [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)nc3CC)n(C)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CC)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CC)nc3CC)n(CC)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1)CC(F)(F)F.
What is the InChIKey of [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate?
The InChIKey is IYIGOGIKDXAKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46F3NO4.2C32H37F6NO4.C30H36F3NO4.3C28H33F3N2O3.C26H29F3N2O3/c1-7-9-11-13-26-14-17-29(32(19-26)41-6)31-20-27-15-16-28(21-30(27)39(31)18-12-10-8-2)42-23-34(5,22-35(36,37)38)24-43-33(40)25(3)4;1-6-8-9-10-22-11-14-25(28(15-22)43-32(36,37)38)27-16-23-12-13-24(17-26(23)39(27)7-2)41-19-30(5,18-31(33,34)35)20-42-29(40)21(3)4;1-6-8-9-10-22-11-14-25(28(15-22)43-32(36,37)38)27-16-23-12-13-24(17-26(23)39(27)21(3)4)41-19-30(5,18-31(33,34)35)20-42-29(40)7-2;1-6-8-9-10-21-11-14-24(27(15-21)36-5)26-16-22-12-13-23(17-25(22)34(26)4)37-19-29(3,18-30(31,32)33)20-38-28(35)7-2;1-7-20-10-12-22(23(8-2)32-20)25-13-19-9-11-21(14-24(19)33(25)6)35-16-27(5,15-28(29,30)31)17-36-26(34)18(3)4;1-6-20-11-13-22(23(7-2)32-20)25-14-19-10-12-21(15-24(19)33(25)9-4)35-17-27(5,16-28(29,30)31)18-36-26(34)8-3;1-5-26(34)36-19-27(4,17-28(29,30)31)18-35-23-11-10-21-14-24(22-9-6-12-32-16-22)33(25(21)15-23)13-7-8-20(2)3;1-17(2)24(32)34-16-25(5,14-26(27,28)29)15-33-21-9-8-19-11-22(20-7-6-10-30-13-20)31(18(3)4)23(19)12-21/h14-17,19-21H,3,7-13,18,22-24H2,1-2,4-6H3;11-17H,3,6-10,18-20H2,1-2,4-5H3;7,11-17,21H,2,6,8-10,18-20H2,1,3-5H3;7,11-17H,2,6,8-10,18-20H2,1,3-5H3;9-14H,3,7-8,15-17H2,1-2,4-6H3;8,10-15H,3,6-7,9,16-18H2,1-2,4-5H3;5-6,9-12,14-16,20H,1,7-8,13,17-19H2,2-4H3;6-13,18H,1,14-16H2,2-5H3.
What are the key properties of [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate?
[2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate has a molecular weight of 4342.90 g/mol, XLogP of 64.04, 100 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[(1-propan-2-yl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158841738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).