[2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate

C310H400F12N12O34 — CID 162166414

IUPAC[2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CC(C)C)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)n(CC(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1
InChIInChI=1S/C35H49NO3.C34H44F3NO3.C34H47NO4.C33H42F3NO3.2C31H38F3NO4.C30H39NO3.C29H37NO4.C27H34N2O3.C26H32N2O3/c1-8-11-13-15-27-16-19-31(28(10-3)21-27)33-22-29-17-18-30(23-32(29)36(33)20-14-12-9-2)38-24-35(6,7)25-39-34(37)26(4)5;1-7-9-10-13-25-14-17-28(29(19-25)34(35,36)37)31-20-26-15-16-27(21-30(26)38(31)18-11-12-24(3)4)40-22-33(5,6)23-41-32(39)8-2;1-8-10-12-14-26-15-18-29(32(20-26)37-7)31-21-27-16-17-28(22-30(27)35(31)19-13-11-9-2)38-23-34(5,6)24-39-33(36)25(3)4;1-8-9-10-11-24-12-15-27(28(16-24)33(34,35)36)30-17-25-13-14-26(18-29(25)37(30)19-22(2)3)39-20-32(6,7)21-40-31(38)23(4)5;1-7-9-10-11-22-12-15-25(28(16-22)39-31(32,33)34)27-17-23-13-14-24(18-26(23)35(27)8-2)37-19-30(5,6)20-38-29(36)21(3)4;1-7-9-10-11-22-12-15-25(28(16-22)39-31(32,33)34)27-17-23-13-14-24(18-26(23)35(27)21(3)4)37-19-30(5,6)20-38-29(36)8-2;1-7-10-11-12-22-13-16-26(23(8-2)17-22)28-18-24-14-15-25(19-27(24)31(28)6)33-20-30(4,5)21-34-29(32)9-3;1-7-9-10-11-21-12-15-24(27(16-21)32-6)26-17-22-13-14-23(18-25(22)30(26)5)33-19-29(3,4)20-34-28(31)8-2;1-6-26(30)32-19-27(4,5)18-31-23-12-11-21-15-24(22-10-7-13-28-17-22)29(25(21)16-23)14-8-9-20(2)3;1-18(2)15-28-23(21-8-7-11-27-14-21)12-20-9-10-22(13-24(20)28)30-16-26(5,6)17-31-25(29)19(3)4/h16-19,21-23H,4,8-15,20,24-25H2,1-3,5-7H3;8,14-17,19-21,24H,2,7,9-13,18,22-23H2,1,3-6H3;15-18,20-22H,3,8-14,19,23-24H2,1-2,4-7H3;12-18,22H,4,8-11,19-21H2,1-3,5-7H3;12-18H,3,7-11,19-20H2,1-2,4-6H3;8,12-18,21H,2,7,9-11,19-20H2,1,3-6H3;9,13-19H,3,7-8,10-12,20-21H2,1-2,4-6H3;8,12-18H,2,7,9-11,19-20H2,1,3-6H3;6-7,10-13,15-17,20H,1,8-9,14,18-19H2,2-5H3;7-14,18H,3,15-17H2,1-2,4-6H3
InChIKeyZNEPKVBZNLSOEH-UHFFFAOYSA-N
MW5066.64 g/mol
LogP80.24
Rot. Bonds130

About [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate

[2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate (PubChem CID 162166414) has the molecular formula C310H400F12N12O34 and a molecular weight of 5066.64 g/mol. Its IUPAC name is [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate
PubChem CID162166414
Molecular FormulaC310H400F12N12O34
Molecular Weight5066.64 g/mol
Exact Mass5062.97
IUPAC Name[2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CC(C)C)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)n(CC(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1
InChIInChI=1S/C35H49NO3.C34H44F3NO3.C34H47NO4.C33H42F3NO3.2C31H38F3NO4.C30H39NO3.C29H37NO4.C27H34N2O3.C26H32N2O3/c1-8-11-13-15-27-16-19-31(28(10-3)21-27)33-22-29-17-18-30(23-32(29)36(33)20-14-12-9-2)38-24-35(6,7)25-39-34(37)26(4)5;1-7-9-10-13-25-14-17-28(29(19-25)34(35,36)37)31-20-26-15-16-27(21-30(26)38(31)18-11-12-24(3)4)40-22-33(5,6)23-41-32(39)8-2;1-8-10-12-14-26-15-18-29(32(20-26)37-7)31-21-27-16-17-28(22-30(27)35(31)19-13-11-9-2)38-23-34(5,6)24-39-33(36)25(3)4;1-8-9-10-11-24-12-15-27(28(16-24)33(34,35)36)30-17-25-13-14-26(18-29(25)37(30)19-22(2)3)39-20-32(6,7)21-40-31(38)23(4)5;1-7-9-10-11-22-12-15-25(28(16-22)39-31(32,33)34)27-17-23-13-14-24(18-26(23)35(27)8-2)37-19-30(5,6)20-38-29(36)21(3)4;1-7-9-10-11-22-12-15-25(28(16-22)39-31(32,33)34)27-17-23-13-14-24(18-26(23)35(27)21(3)4)37-19-30(5,6)20-38-29(36)8-2;1-7-10-11-12-22-13-16-26(23(8-2)17-22)28-18-24-14-15-25(19-27(24)31(28)6)33-20-30(4,5)21-34-29(32)9-3;1-7-9-10-11-21-12-15-24(27(16-21)32-6)26-17-22-13-14-23(18-25(22)30(26)5)33-19-29(3,4)20-34-28(31)8-2;1-6-26(30)32-19-27(4,5)18-31-23-12-11-21-15-24(22-10-7-13-28-17-22)29(25(21)16-23)14-8-9-20(2)3;1-18(2)15-28-23(21-8-7-11-27-14-21)12-20-9-10-22(13-24(20)28)30-16-26(5,6)17-31-25(29)19(3)4/h16-19,21-23H,4,8-15,20,24-25H2,1-3,5-7H3;8,14-17,19-21,24H,2,7,9-13,18,22-23H2,1,3-6H3;15-18,20-22H,3,8-14,19,23-24H2,1-2,4-7H3;12-18,22H,4,8-11,19-21H2,1-3,5-7H3;12-18H,3,7-11,19-20H2,1-2,4-6H3;8,12-18,21H,2,7,9-11,19-20H2,1,3-6H3;9,13-19H,3,7-8,10-12,20-21H2,1-2,4-6H3;8,12-18H,2,7,9-11,19-20H2,1,3-6H3;6-7,10-13,15-17,20H,1,8-9,14,18-19H2,2-5H3;7-14,18H,3,15-17H2,1-2,4-6H3
InChIKeyZNEPKVBZNLSOEH-UHFFFAOYSA-N
XLogP80.24
TPSA467.30 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds130
Heavy Atoms368
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005066.64
LogP ≤ 580.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The IUPAC name of [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate (CID 162166414) is [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CC(C)C)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(CC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1.C=C(C)C(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)n(CC(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3CC)n(C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)n(C(C)C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1.C=CC(=O)OCC(C)(C)COc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1.
What is the InChIKey of [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The InChIKey is ZNEPKVBZNLSOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49NO3.C34H44F3NO3.C34H47NO4.C33H42F3NO3.2C31H38F3NO4.C30H39NO3.C29H37NO4.C27H34N2O3.C26H32N2O3/c1-8-11-13-15-27-16-19-31(28(10-3)21-27)33-22-29-17-18-30(23-32(29)36(33)20-14-12-9-2)38-24-35(6,7)25-39-34(37)26(4)5;1-7-9-10-13-25-14-17-28(29(19-25)34(35,36)37)31-20-26-15-16-27(21-30(26)38(31)18-11-12-24(3)4)40-22-33(5,6)23-41-32(39)8-2;1-8-10-12-14-26-15-18-29(32(20-26)37-7)31-21-27-16-17-28(22-30(27)35(31)19-13-11-9-2)38-23-34(5,6)24-39-33(36)25(3)4;1-8-9-10-11-24-12-15-27(28(16-24)33(34,35)36)30-17-25-13-14-26(18-29(25)37(30)19-22(2)3)39-20-32(6,7)21-40-31(38)23(4)5;1-7-9-10-11-22-12-15-25(28(16-22)39-31(32,33)34)27-17-23-13-14-24(18-26(23)35(27)8-2)37-19-30(5,6)20-38-29(36)21(3)4;1-7-9-10-11-22-12-15-25(28(16-22)39-31(32,33)34)27-17-23-13-14-24(18-26(23)35(27)21(3)4)37-19-30(5,6)20-38-29(36)8-2;1-7-10-11-12-22-13-16-26(23(8-2)17-22)28-18-24-14-15-25(19-27(24)31(28)6)33-20-30(4,5)21-34-29(32)9-3;1-7-9-10-11-21-12-15-24(27(16-21)32-6)26-17-22-13-14-23(18-25(22)30(26)5)33-19-29(3,4)20-34-28(31)8-2;1-6-26(30)32-19-27(4,5)18-31-23-12-11-21-15-24(22-10-7-13-28-17-22)29(25(21)16-23)14-8-9-20(2)3;1-18(2)15-28-23(21-8-7-11-27-14-21)12-20-9-10-22(13-24(20)28)30-16-26(5,6)17-31-25(29)19(3)4/h16-19,21-23H,4,8-15,20,24-25H2,1-3,5-7H3;8,14-17,19-21,24H,2,7,9-13,18,22-23H2,1,3-6H3;15-18,20-22H,3,8-14,19,23-24H2,1-2,4-7H3;12-18,22H,4,8-11,19-21H2,1-3,5-7H3;12-18H,3,7-11,19-20H2,1-2,4-6H3;8,12-18,21H,2,7,9-11,19-20H2,1,3-6H3;9,13-19H,3,7-8,10-12,20-21H2,1-2,4-6H3;8,12-18H,2,7,9-11,19-20H2,1,3-6H3;6-7,10-13,15-17,20H,1,8-9,14,18-19H2,2-5H3;7-14,18H,3,15-17H2,1-2,4-6H3.
What are the key properties of [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate?
[2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate has a molecular weight of 5066.64 g/mol, XLogP of 80.24, 130 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] prop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxypropyl] 2-methylprop-2-enoate;[2,2-dimethyl-3-[2-[4-pentyl-2-(trifluoromethoxy)phenyl]-1-propan-2-ylindol-6-yl]oxypropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[1-ethyl-2-[4-pentyl-2-(trifluoromethoxy)phenyl]indol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxy-2,2-dimethylpropyl] prop-2-enoate;[3-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxy-2,2-dimethylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162166414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).