2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene

C340H323F27O6 — CID 159883301

IUPAC2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene
SMILESCCCCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(COC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(C)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(C)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.Cc1ccc(C#Cc2cc(C)c(C#Cc3ccc(C)cc3)c(OC(F)(F)F)c2)cc1
InChIInChI=1S/C36H39F3.C35H37F3O.C34H35F3O.C33H33F3O.C31H29F3.C30H27F3O.C30H30.C29H25F3.C28H23F3O.C28H26.C26H19F3O/c1-4-5-6-7-8-9-10-11-12-33-25-32(22-21-30-17-13-28(2)14-18-30)26-34(27-36(37,38)39)35(33)24-23-31-19-15-29(3)16-20-31;1-4-5-6-7-8-9-10-11-12-32-25-31(22-21-29-17-13-27(2)14-18-29)26-34(39-35(36,37)38)33(32)24-23-30-19-15-28(3)16-20-30;1-4-5-6-7-8-9-10-31-23-30(20-19-28-15-11-26(2)12-16-28)24-32(25-38-34(35,36)37)33(31)22-21-29-17-13-27(3)14-18-29;1-4-5-6-7-8-9-10-30-23-29(20-19-27-15-11-25(2)12-16-27)24-32(37-33(34,35)36)31(30)22-21-28-17-13-26(3)14-18-28;1-4-5-6-7-28-20-27(17-16-25-12-8-23(2)9-13-25)21-29(22-31(32,33)34)30(28)19-18-26-14-10-24(3)11-15-26;1-4-5-6-7-27-20-26(17-16-24-12-8-22(2)9-13-24)21-29(34-30(31,32)33)28(27)19-18-25-14-10-23(3)11-15-25;1-5-6-7-8-29-22-28(18-17-26-13-9-23(2)10-14-26)21-25(4)30(29)20-19-27-15-11-24(3)12-16-27;1-4-5-26-18-25(15-14-23-10-6-21(2)7-11-23)19-27(20-29(30,31)32)28(26)17-16-24-12-8-22(3)9-13-24;1-4-5-25-18-24(15-14-22-10-6-20(2)7-11-22)19-27(32-28(29,30)31)26(25)17-16-23-12-8-21(3)9-13-23;1-5-6-27-20-26(16-15-24-11-7-21(2)8-12-24)19-23(4)28(27)18-17-25-13-9-22(3)10-14-25;1-18-4-8-21(9-5-18)12-13-23-16-20(3)24(25(17-23)30-26(27,28)29)15-14-22-10-6-19(2)7-11-22/h13-20,25-26H,4-12,27H2,1-3H3;13-20,25-26H,4-12H2,1-3H3;11-18,23-24H,4-10,25H2,1-3H3;11-18,23-24H,4-10H2,1-3H3;8-15,20-21H,4-7,22H2,1-3H3;8-15,20-21H,4-7H2,1-3H3;9-16,21-22H,5-8H2,1-4H3;6-13,18-19H,4-5,20H2,1-3H3;6-13,18-19H,4-5H2,1-3H3;7-14,19-20H,5-6H2,1-4H3;4-11,16-17H,1-3H3
InChIKeyNTUQQPFBSZMERV-UHFFFAOYSA-N
MW5018.26 g/mol
LogP87.13
Rot. Bonds60

About 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene

2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene (PubChem CID 159883301) has the molecular formula C340H323F27O6 and a molecular weight of 5018.26 g/mol. Its IUPAC name is 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene
PubChem CID159883301
Molecular FormulaC340H323F27O6
Molecular Weight5018.26 g/mol
Exact Mass5014.45
IUPAC Name2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene
SMILESCCCCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(COC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(C)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(C)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.Cc1ccc(C#Cc2cc(C)c(C#Cc3ccc(C)cc3)c(OC(F)(F)F)c2)cc1
InChIInChI=1S/C36H39F3.C35H37F3O.C34H35F3O.C33H33F3O.C31H29F3.C30H27F3O.C30H30.C29H25F3.C28H23F3O.C28H26.C26H19F3O/c1-4-5-6-7-8-9-10-11-12-33-25-32(22-21-30-17-13-28(2)14-18-30)26-34(27-36(37,38)39)35(33)24-23-31-19-15-29(3)16-20-31;1-4-5-6-7-8-9-10-11-12-32-25-31(22-21-29-17-13-27(2)14-18-29)26-34(39-35(36,37)38)33(32)24-23-30-19-15-28(3)16-20-30;1-4-5-6-7-8-9-10-31-23-30(20-19-28-15-11-26(2)12-16-28)24-32(25-38-34(35,36)37)33(31)22-21-29-17-13-27(3)14-18-29;1-4-5-6-7-8-9-10-30-23-29(20-19-27-15-11-25(2)12-16-27)24-32(37-33(34,35)36)31(30)22-21-28-17-13-26(3)14-18-28;1-4-5-6-7-28-20-27(17-16-25-12-8-23(2)9-13-25)21-29(22-31(32,33)34)30(28)19-18-26-14-10-24(3)11-15-26;1-4-5-6-7-27-20-26(17-16-24-12-8-22(2)9-13-24)21-29(34-30(31,32)33)28(27)19-18-25-14-10-23(3)11-15-25;1-5-6-7-8-29-22-28(18-17-26-13-9-23(2)10-14-26)21-25(4)30(29)20-19-27-15-11-24(3)12-16-27;1-4-5-26-18-25(15-14-23-10-6-21(2)7-11-23)19-27(20-29(30,31)32)28(26)17-16-24-12-8-22(3)9-13-24;1-4-5-25-18-24(15-14-22-10-6-20(2)7-11-22)19-27(32-28(29,30)31)26(25)17-16-23-12-8-21(3)9-13-23;1-5-6-27-20-26(16-15-24-11-7-21(2)8-12-24)19-23(4)28(27)18-17-25-13-9-22(3)10-14-25;1-18-4-8-21(9-5-18)12-13-23-16-20(3)24(25(17-23)30-26(27,28)29)15-14-22-10-6-19(2)7-11-22/h13-20,25-26H,4-12,27H2,1-3H3;13-20,25-26H,4-12H2,1-3H3;11-18,23-24H,4-10,25H2,1-3H3;11-18,23-24H,4-10H2,1-3H3;8-15,20-21H,4-7,22H2,1-3H3;8-15,20-21H,4-7H2,1-3H3;9-16,21-22H,5-8H2,1-4H3;6-13,18-19H,4-5,20H2,1-3H3;6-13,18-19H,4-5H2,1-3H3;7-14,19-20H,5-6H2,1-4H3;4-11,16-17H,1-3H3
InChIKeyNTUQQPFBSZMERV-UHFFFAOYSA-N
XLogP87.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds60
Heavy Atoms373
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005018.26
LogP ≤ 587.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene
CID 21359814
1,3-difluoro-2-[2-(4-methylphenyl)ethynyl]-5-[2-(4-octylphenyl)ethynyl]benzene
CID 18960003
1,3-difluoro-5-[2-(4-methylphenyl)ethynyl]-2-[2-(4-pentylphenyl)ethynyl]benzene
CID 54182701
1,3-difluoro-2-methyl-5-[2-[4-[2-[4-methyl-3-(trifluoromethoxy)phenyl]ethynyl]phenyl]ethynyl]benzene;1-methyl-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-2-(trifluoromethoxy)benzene
CID 91260883
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 19899706
1-[2-(4-hexylphenyl)ethynyl]-2-methyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 100957951
2-fluoro-4-[2-[3-fluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-pentylbenzene
CID 22112294
2-fluoro-1-[2-(3-fluoro-4-pentylphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene
CID 22112482
1,3-difluoro-2-[2-(4-hexylphenyl)ethynyl]-5-[2-(4-octylphenyl)ethynyl]benzene
CID 18959989
1,3-difluoro-2,5-bis[2-(4-octylphenyl)ethynyl]benzene
CID 18959970
1-butyl-3-hexyl-2-hex-1-ynyl-5-methylbenzene
CID 11109766
1,3-dimethyl-5-[2-(4-methylphenyl)ethynyl]benzene
CID 15317762

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene?
The IUPAC name of 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene (CID 159883301) is 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene?
The canonical SMILES for 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene is CCCCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(COC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(C)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(C)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(CC(F)(F)F)c1C#Cc1ccc(C)cc1.CCCc1cc(C#Cc2ccc(C)cc2)cc(OC(F)(F)F)c1C#Cc1ccc(C)cc1.Cc1ccc(C#Cc2cc(C)c(C#Cc3ccc(C)cc3)c(OC(F)(F)F)c2)cc1.
What is the InChIKey of 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene?
The InChIKey is NTUQQPFBSZMERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39F3.C35H37F3O.C34H35F3O.C33H33F3O.C31H29F3.C30H27F3O.C30H30.C29H25F3.C28H23F3O.C28H26.C26H19F3O/c1-4-5-6-7-8-9-10-11-12-33-25-32(22-21-30-17-13-28(2)14-18-30)26-34(27-36(37,38)39)35(33)24-23-31-19-15-29(3)16-20-31;1-4-5-6-7-8-9-10-11-12-32-25-31(22-21-29-17-13-27(2)14-18-29)26-34(39-35(36,37)38)33(32)24-23-30-19-15-28(3)16-20-30;1-4-5-6-7-8-9-10-31-23-30(20-19-28-15-11-26(2)12-16-28)24-32(25-38-34(35,36)37)33(31)22-21-29-17-13-27(3)14-18-29;1-4-5-6-7-8-9-10-30-23-29(20-19-27-15-11-25(2)12-16-27)24-32(37-33(34,35)36)31(30)22-21-28-17-13-26(3)14-18-28;1-4-5-6-7-28-20-27(17-16-25-12-8-23(2)9-13-25)21-29(22-31(32,33)34)30(28)19-18-26-14-10-24(3)11-15-26;1-4-5-6-7-27-20-26(17-16-24-12-8-22(2)9-13-24)21-29(34-30(31,32)33)28(27)19-18-25-14-10-23(3)11-15-25;1-5-6-7-8-29-22-28(18-17-26-13-9-23(2)10-14-26)21-25(4)30(29)20-19-27-15-11-24(3)12-16-27;1-4-5-26-18-25(15-14-23-10-6-21(2)7-11-23)19-27(20-29(30,31)32)28(26)17-16-24-12-8-22(3)9-13-24;1-4-5-25-18-24(15-14-22-10-6-20(2)7-11-22)19-27(32-28(29,30)31)26(25)17-16-23-12-8-21(3)9-13-23;1-5-6-27-20-26(16-15-24-11-7-21(2)8-12-24)19-23(4)28(27)18-17-25-13-9-22(3)10-14-25;1-18-4-8-21(9-5-18)12-13-23-16-20(3)24(25(17-23)30-26(27,28)29)15-14-22-10-6-19(2)7-11-22/h13-20,25-26H,4-12,27H2,1-3H3;13-20,25-26H,4-12H2,1-3H3;11-18,23-24H,4-10,25H2,1-3H3;11-18,23-24H,4-10H2,1-3H3;8-15,20-21H,4-7,22H2,1-3H3;8-15,20-21H,4-7H2,1-3H3;9-16,21-22H,5-8H2,1-4H3;6-13,18-19H,4-5,20H2,1-3H3;6-13,18-19H,4-5H2,1-3H3;7-14,19-20H,5-6H2,1-4H3;4-11,16-17H,1-3H3.
What are the key properties of 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene?
2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene has a molecular weight of 5018.26 g/mol, XLogP of 87.13, 60 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-octyl-3-(trifluoromethoxymethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-pentyl-3-(trifluoromethoxy)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(2,2,2-trifluoroethyl)benzene;2,5-bis[2-(4-methylphenyl)ethynyl]-1-propyl-3-(trifluoromethoxy)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(2,2,2-trifluoroethyl)benzene;1-decyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-pentylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-propylbenzene;1-methyl-2,5-bis[2-(4-methylphenyl)ethynyl]-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 159883301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).