[2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate

C244H305F15N8O24 — CID 158111400

IUPAC[2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1.C=C(C)C(=O)OCC(C)(CC)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccccc3CC)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CC)cc3)n(CCCC(C)C)c2c1.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CC)c2c1.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCCC)c2c1)CC(F)(F)F
InChIInChI=1S/C36H45F6NO3.C34H41F6NO3.2C32H43NO3.C31H41NO3.C29H34F3NO3.2C25H29NO3/c1-7-8-9-12-26-13-16-29(30(18-26)36(40,41)42)32-19-27-14-15-28(20-31(27)43(32)17-10-11-24(2)3)45-22-34(6,21-35(37,38)39)23-46-33(44)25(4)5;1-5-8-10-12-24-13-16-27(28(18-24)34(38,39)40)30-19-25-14-15-26(20-29(25)41(30)17-11-9-6-2)43-22-32(4,21-33(35,36)37)23-44-31(42)7-3;1-8-11-12-13-24-14-17-28(25(9-2)18-24)30-19-26-15-16-27(20-29(26)33(30)7)35-21-32(6,10-3)22-36-31(34)23(4)5;1-7-12-13-14-24-15-18-28(25(8-2)19-24)30-20-26-16-17-27(21-29(26)33(30)11-5)35-22-32(6,10-4)23-36-31(34)9-3;1-7-24-12-14-25(15-13-24)28-19-26-16-17-27(20-29(26)32(28)18-10-11-23(4)5)34-21-31(6,9-3)22-35-30(33)8-2;1-7-21-10-8-9-11-24(21)26-14-22-12-13-23(15-25(22)33(26)20(4)5)35-17-28(6,16-29(30,31)32)18-36-27(34)19(2)3;1-6-25(4,17-29-24(27)18(2)3)16-28-21-13-12-20-14-22(26(5)23(20)15-21)19-10-8-7-9-11-19;1-5-24(27)29-18-25(4,6-2)17-28-21-14-13-20-15-22(19-11-9-8-10-12-19)26(7-3)23(20)16-21/h13-16,18-20,24H,4,7-12,17,21-23H2,1-3,5-6H3;7,13-16,18-20H,3,5-6,8-12,17,21-23H2,1-2,4H3;14-20H,4,8-13,21-22H2,1-3,5-7H3;9,15-21H,3,7-8,10-14,22-23H2,1-2,4-6H3;8,12-17,19-20,23H,2,7,9-11,18,21-22H2,1,3-6H3;8-15,20H,2,7,16-18H2,1,3-6H3;7-15H,2,6,16-17H2,1,3-5H3;5,8-16H,1,6-7,17-18H2,2-4H3
InChIKeyFQMCAVJIYYFXDA-UHFFFAOYSA-N
MW4019.13 g/mol
LogP64.82
Rot. Bonds99

About [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate

[2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate (PubChem CID 158111400) has the molecular formula C244H305F15N8O24 and a molecular weight of 4019.13 g/mol. Its IUPAC name is [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate
PubChem CID158111400
Molecular FormulaC244H305F15N8O24
Molecular Weight4019.13 g/mol
Exact Mass4016.27
IUPAC Name[2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1.C=C(C)C(=O)OCC(C)(CC)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccccc3CC)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CC)cc3)n(CCCC(C)C)c2c1.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CC)c2c1.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCCC)c2c1)CC(F)(F)F
InChIInChI=1S/C36H45F6NO3.C34H41F6NO3.2C32H43NO3.C31H41NO3.C29H34F3NO3.2C25H29NO3/c1-7-8-9-12-26-13-16-29(30(18-26)36(40,41)42)32-19-27-14-15-28(20-31(27)43(32)17-10-11-24(2)3)45-22-34(6,21-35(37,38)39)23-46-33(44)25(4)5;1-5-8-10-12-24-13-16-27(28(18-24)34(38,39)40)30-19-25-14-15-26(20-29(25)41(30)17-11-9-6-2)43-22-32(4,21-33(35,36)37)23-44-31(42)7-3;1-8-11-12-13-24-14-17-28(25(9-2)18-24)30-19-26-15-16-27(20-29(26)33(30)7)35-21-32(6,10-3)22-36-31(34)23(4)5;1-7-12-13-14-24-15-18-28(25(8-2)19-24)30-20-26-16-17-27(21-29(26)33(30)11-5)35-22-32(6,10-4)23-36-31(34)9-3;1-7-24-12-14-25(15-13-24)28-19-26-16-17-27(20-29(26)32(28)18-10-11-23(4)5)34-21-31(6,9-3)22-35-30(33)8-2;1-7-21-10-8-9-11-24(21)26-14-22-12-13-23(15-25(22)33(26)20(4)5)35-17-28(6,16-29(30,31)32)18-36-27(34)19(2)3;1-6-25(4,17-29-24(27)18(2)3)16-28-21-13-12-20-14-22(26(5)23(20)15-21)19-10-8-7-9-11-19;1-5-24(27)29-18-25(4,6-2)17-28-21-14-13-20-15-22(19-11-9-8-10-12-19)26(7-3)23(20)16-21/h13-16,18-20,24H,4,7-12,17,21-23H2,1-3,5-6H3;7,13-16,18-20H,3,5-6,8-12,17,21-23H2,1-2,4H3;14-20H,4,8-13,21-22H2,1-3,5-7H3;9,15-21H,3,7-8,10-14,22-23H2,1-2,4-6H3;8,12-17,19-20,23H,2,7,9-11,18,21-22H2,1,3-6H3;8-15,20H,2,7,16-18H2,1,3-6H3;7-15H,2,6,16-17H2,1,3-5H3;5,8-16H,1,6-7,17-18H2,2-4H3
InChIKeyFQMCAVJIYYFXDA-UHFFFAOYSA-N
XLogP64.82
TPSA323.68 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds99
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004019.13
LogP ≤ 564.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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'}

Analyze [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate with MolForge

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Related Compounds

[4,4,4-Trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate
CID 146390651
[2-[[2-(2-Ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate
CID 146390652
[4,4,4-Trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate
CID 146390653
[7-[2-(2-Ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-4,4-difluoroheptyl] 2-methylprop-2-enoate
CID 146390654
[4,4-Difluoro-7-[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-propan-2-ylindol-6-yl]oxyheptyl] 2-methylprop-2-enoate
CID 146390655
[4,4-Difluoro-7-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxyheptyl] prop-2-enoate
CID 146390657
[2-[[2-(2-Ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate
CID 146390659
[2-[[1-Ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] prop-2-enoate
CID 146390662
[3,3,4,4,5,5,6,6-Octafluoro-8-[1-methyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxyoctyl] 2-methylprop-2-enoate
CID 146390665
[8-[1-Ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate
CID 146390671
[3-[[3-[1-Ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate
CID 146390713
[3-[[1,1-Difluoro-3-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxypropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
CID 146390714

Frequently Asked Questions

What is the IUPAC name of [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate?
The IUPAC name of [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate (CID 158111400) is [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate.
What is the SMILES notation for [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate?
The canonical SMILES for [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate is C=C(C)C(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1.C=C(C)C(=O)OCC(C)(CC)COc1ccc2cc(-c3ccccc3)n(C)c2c1.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1)CC(F)(F)F.C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccccc3CC)n(C(C)C)c2c1)CC(F)(F)F.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CC)cc3)n(CCCC(C)C)c2c1.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CC)c2c1.C=CC(=O)OCC(C)(CC)COc1ccc2cc(-c3ccccc3)n(CC)c2c1.C=CC(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCCC)c2c1)CC(F)(F)F.
What is the InChIKey of [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate?
The InChIKey is FQMCAVJIYYFXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45F6NO3.C34H41F6NO3.2C32H43NO3.C31H41NO3.C29H34F3NO3.2C25H29NO3/c1-7-8-9-12-26-13-16-29(30(18-26)36(40,41)42)32-19-27-14-15-28(20-31(27)43(32)17-10-11-24(2)3)45-22-34(6,21-35(37,38)39)23-46-33(44)25(4)5;1-5-8-10-12-24-13-16-27(28(18-24)34(38,39)40)30-19-25-14-15-26(20-29(25)41(30)17-11-9-6-2)43-22-32(4,21-33(35,36)37)23-44-31(42)7-3;1-8-11-12-13-24-14-17-28(25(9-2)18-24)30-19-26-15-16-27(20-29(26)33(30)7)35-21-32(6,10-3)22-36-31(34)23(4)5;1-7-12-13-14-24-15-18-28(25(8-2)19-24)30-20-26-16-17-27(21-29(26)33(30)11-5)35-22-32(6,10-4)23-36-31(34)9-3;1-7-24-12-14-25(15-13-24)28-19-26-16-17-27(20-29(26)32(28)18-10-11-23(4)5)34-21-31(6,9-3)22-35-30(33)8-2;1-7-21-10-8-9-11-24(21)26-14-22-12-13-23(15-25(22)33(26)20(4)5)35-17-28(6,16-29(30,31)32)18-36-27(34)19(2)3;1-6-25(4,17-29-24(27)18(2)3)16-28-21-13-12-20-14-22(26(5)23(20)15-21)19-10-8-7-9-11-19;1-5-24(27)29-18-25(4,6-2)17-28-21-14-13-20-15-22(19-11-9-8-10-12-19)26(7-3)23(20)16-21/h13-16,18-20,24H,4,7-12,17,21-23H2,1-3,5-6H3;7,13-16,18-20H,3,5-6,8-12,17,21-23H2,1-2,4H3;14-20H,4,8-13,21-22H2,1-3,5-7H3;9,15-21H,3,7-8,10-14,22-23H2,1-2,4-6H3;8,12-17,19-20,23H,2,7,9-11,18,21-22H2,1,3-6H3;8-15,20H,2,7,16-18H2,1,3-6H3;7-15H,2,6,16-17H2,1,3-5H3;5,8-16H,1,6-7,17-18H2,2-4H3.
What are the key properties of [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate?
[2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate has a molecular weight of 4019.13 g/mol, XLogP of 64.82, 99 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate is sourced from PubChem (CID 158111400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).