1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate

C441H486F4O12 — CID 161382018

IUPAC1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate
SMILESCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(C)cc4)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(F)c(F)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(F)c(F)c4)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(CCCCC)cc4)cc3)cc2)CC1.CCCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCC)CC4)cc3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCC)cc3)cc2)cc1.CCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.CCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1
InChIInChI=1S/C37H46.2C36H44.2C34H40.C32H36O2.C31H32F2.C31H34O2.C30H32.C29H28F2.2C29H30O2.C27H26O2.C26H24O2/c1-3-5-7-9-11-31-18-22-34(23-19-31)36-26-28-37(29-27-36)35-24-20-33(21-25-35)17-16-32-14-12-30(13-15-32)10-8-6-4-2;2*1-3-5-7-9-29-11-13-31(14-12-29)15-16-32-19-23-34(24-20-32)36-27-25-35(26-28-36)33-21-17-30(18-22-33)10-8-6-4-2;1-3-5-6-8-28-9-11-29(12-10-28)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-27(7-4-2)16-20-31;1-3-5-7-27-9-11-29(12-10-27)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-28(16-20-31)8-6-4-2;1-3-5-7-9-11-26-12-14-28(15-13-26)16-17-29-18-22-30(23-19-29)32(33)34-31-24-20-27(21-25-31)10-8-6-4-2;1-2-3-4-5-23-8-13-26(14-9-23)28-17-19-29(20-18-28)27-15-10-24(11-16-27)6-7-25-12-21-30(32)31(33)22-25;1-3-5-7-9-25-11-13-27(14-12-25)15-16-28-17-21-29(22-18-28)31(32)33-30-23-19-26(20-24-30)10-8-6-4-2;1-3-4-24-11-15-27(16-12-24)29-19-21-30(22-20-29)28-17-13-26(14-18-28)10-9-25-7-5-23(2)6-8-25;1-2-3-21-6-11-24(12-7-21)26-15-17-27(18-16-26)25-13-8-22(9-14-25)4-5-23-10-19-28(30)29(31)20-23;1-3-5-6-8-24-9-11-25(12-10-24)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-23(7-4-2)18-22-28;1-3-5-7-23-9-11-25(12-10-23)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-24(18-22-28)8-6-4-2;1-3-5-21-7-9-23(10-8-21)11-12-24-13-17-25(18-14-24)27(28)29-26-19-15-22(6-4-2)16-20-26;1-3-5-21-6-8-22(9-7-21)10-11-23-12-16-24(17-13-23)26(27)28-25-18-14-20(4-2)15-19-25/h12-15,20-21,24-29,31,34H,3-11,18-19,22-23H2,1-2H3;2*11-14,19-20,23-28,30,33H,3-10,17-18,21-22H2,1-2H3;9-12,17-18,21-27,31H,3-8,15-16,19-20H2,1-2H3;9-12,17-18,21-26,28,31H,3-8,15-16,19-20H2,1-2H3;12-15,18-25H,3-11H2,1-2H3;10-12,15-23,26H,2-5,8-9,13-14H2,1H3;11-14,17-24H,3-10H2,1-2H3;5-8,13-14,17-22,24,27H,3-4,11-12,15-16H2,1-2H3;8-10,13-21,24H,2-3,6-7,11-12H2,1H3;2*9-12,15-22H,3-8H2,1-2H3;7-10,13-20H,3-6H2,1-2H3;6-9,12-19H,3-5H2,1-2H3
InChIKeyVRVNZJUUNFIPIB-UHFFFAOYSA-N
MW6054.72 g/mol
LogP117.60
Rot. Bonds109

About 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate

1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate (PubChem CID 161382018) has the molecular formula C441H486F4O12 and a molecular weight of 6054.72 g/mol. Its IUPAC name is 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate.

Molecular Properties

Compound Name1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate
PubChem CID161382018
Molecular FormulaC441H486F4O12
Molecular Weight6054.72 g/mol
Exact Mass6049.74
IUPAC Name1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate
SMILESCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(C)cc4)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(F)c(F)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(F)c(F)c4)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(CCCCC)cc4)cc3)cc2)CC1.CCCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCC)CC4)cc3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCC)cc3)cc2)cc1.CCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.CCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1
InChIInChI=1S/C37H46.2C36H44.2C34H40.C32H36O2.C31H32F2.C31H34O2.C30H32.C29H28F2.2C29H30O2.C27H26O2.C26H24O2/c1-3-5-7-9-11-31-18-22-34(23-19-31)36-26-28-37(29-27-36)35-24-20-33(21-25-35)17-16-32-14-12-30(13-15-32)10-8-6-4-2;2*1-3-5-7-9-29-11-13-31(14-12-29)15-16-32-19-23-34(24-20-32)36-27-25-35(26-28-36)33-21-17-30(18-22-33)10-8-6-4-2;1-3-5-6-8-28-9-11-29(12-10-28)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-27(7-4-2)16-20-31;1-3-5-7-27-9-11-29(12-10-27)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-28(16-20-31)8-6-4-2;1-3-5-7-9-11-26-12-14-28(15-13-26)16-17-29-18-22-30(23-19-29)32(33)34-31-24-20-27(21-25-31)10-8-6-4-2;1-2-3-4-5-23-8-13-26(14-9-23)28-17-19-29(20-18-28)27-15-10-24(11-16-27)6-7-25-12-21-30(32)31(33)22-25;1-3-5-7-9-25-11-13-27(14-12-25)15-16-28-17-21-29(22-18-28)31(32)33-30-23-19-26(20-24-30)10-8-6-4-2;1-3-4-24-11-15-27(16-12-24)29-19-21-30(22-20-29)28-17-13-26(14-18-28)10-9-25-7-5-23(2)6-8-25;1-2-3-21-6-11-24(12-7-21)26-15-17-27(18-16-26)25-13-8-22(9-14-25)4-5-23-10-19-28(30)29(31)20-23;1-3-5-6-8-24-9-11-25(12-10-24)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-23(7-4-2)18-22-28;1-3-5-7-23-9-11-25(12-10-23)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-24(18-22-28)8-6-4-2;1-3-5-21-7-9-23(10-8-21)11-12-24-13-17-25(18-14-24)27(28)29-26-19-15-22(6-4-2)16-20-26;1-3-5-21-6-8-22(9-7-21)10-11-23-12-16-24(17-13-23)26(27)28-25-18-14-20(4-2)15-19-25/h12-15,20-21,24-29,31,34H,3-11,18-19,22-23H2,1-2H3;2*11-14,19-20,23-28,30,33H,3-10,17-18,21-22H2,1-2H3;9-12,17-18,21-27,31H,3-8,15-16,19-20H2,1-2H3;9-12,17-18,21-26,28,31H,3-8,15-16,19-20H2,1-2H3;12-15,18-25H,3-11H2,1-2H3;10-12,15-23,26H,2-5,8-9,13-14H2,1H3;11-14,17-24H,3-10H2,1-2H3;5-8,13-14,17-22,24,27H,3-4,11-12,15-16H2,1-2H3;8-10,13-21,24H,2-3,6-7,11-12H2,1H3;2*9-12,15-22H,3-8H2,1-2H3;7-10,13-20H,3-6H2,1-2H3;6-9,12-19H,3-5H2,1-2H3
InChIKeyVRVNZJUUNFIPIB-UHFFFAOYSA-N
XLogP117.60
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds109
Heavy Atoms457
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006054.72
LogP ≤ 5117.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate with MolForge

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Related Compounds

1-(4-butylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene;1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]benzene;(4-cyano-3-fluorophenyl) 4-ethylbenzoate;(4-cyano-3-fluorophenyl) 4-propylbenzoate;(4-cyanophenyl) 4-butylbenzoate;(4-cyanophenyl) 4-ethylbenzoate;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-[2-(4-propylphenyl)ethynyl]benzene;1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene;1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene;4-(4-propylcyclohexyl)benzonitrile
CID 158678754
1-butyl-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene;1-(4-ethylcyclohexyl)-4-[2-(4-methoxyphenyl)ethynyl]benzene;1-(4-ethylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene;1-(4-ethylcyclohexyl)-4-[2-(4-propylphenyl)ethynyl]benzene;1-ethyl-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene;1-fluoro-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethynyl]benzene;1-fluoro-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-fluoro-4-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]benzene;methane;1-methyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene;1-pentyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 159244025
[4-(4-octylcyclohexyl)phenyl] 4-butylbenzoate
CID 23334690
(4-propylphenyl) 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate
CID 18596409
1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 22089477
(4-methylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 23334784
[4-(4-ethylcyclohexyl)phenyl] 4-heptylbenzoate
CID 23334828
(4-heptylphenyl) 4-(4-ethylcyclohexyl)benzoate
CID 23334865
1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-propyl-4-(4-propylcyclohexyl)cyclohexane;1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 158191473
[4-(4-ethylcyclohexyl)phenyl] 4-pentylbenzoate
CID 23334649
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-[2-fluoro-4-(4-propylphenyl)phenyl]benzonitrile;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 158854286
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate?
The IUPAC name of 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate (CID 161382018) is 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate.
What is the SMILES notation for 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate?
The canonical SMILES for 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate is CCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(C)cc4)cc3)cc2)CC1.CCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(F)c(F)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(F)c(F)c4)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(-c3ccc(C#Cc4ccc(CCCCC)cc4)cc3)cc2)CC1.CCCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1.CCCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCCC)cc3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(-c3ccc(C4CCC(CCCC)CC4)cc3)cc2)cc1.CCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCCC)cc3)cc2)cc1.CCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1.CCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1.
What is the InChIKey of 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate?
The InChIKey is VRVNZJUUNFIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46.2C36H44.2C34H40.C32H36O2.C31H32F2.C31H34O2.C30H32.C29H28F2.2C29H30O2.C27H26O2.C26H24O2/c1-3-5-7-9-11-31-18-22-34(23-19-31)36-26-28-37(29-27-36)35-24-20-33(21-25-35)17-16-32-14-12-30(13-15-32)10-8-6-4-2;2*1-3-5-7-9-29-11-13-31(14-12-29)15-16-32-19-23-34(24-20-32)36-27-25-35(26-28-36)33-21-17-30(18-22-33)10-8-6-4-2;1-3-5-6-8-28-9-11-29(12-10-28)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-27(7-4-2)16-20-31;1-3-5-7-27-9-11-29(12-10-27)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-28(16-20-31)8-6-4-2;1-3-5-7-9-11-26-12-14-28(15-13-26)16-17-29-18-22-30(23-19-29)32(33)34-31-24-20-27(21-25-31)10-8-6-4-2;1-2-3-4-5-23-8-13-26(14-9-23)28-17-19-29(20-18-28)27-15-10-24(11-16-27)6-7-25-12-21-30(32)31(33)22-25;1-3-5-7-9-25-11-13-27(14-12-25)15-16-28-17-21-29(22-18-28)31(32)33-30-23-19-26(20-24-30)10-8-6-4-2;1-3-4-24-11-15-27(16-12-24)29-19-21-30(22-20-29)28-17-13-26(14-18-28)10-9-25-7-5-23(2)6-8-25;1-2-3-21-6-11-24(12-7-21)26-15-17-27(18-16-26)25-13-8-22(9-14-25)4-5-23-10-19-28(30)29(31)20-23;1-3-5-6-8-24-9-11-25(12-10-24)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-23(7-4-2)18-22-28;1-3-5-7-23-9-11-25(12-10-23)13-14-26-15-19-27(20-16-26)29(30)31-28-21-17-24(18-22-28)8-6-4-2;1-3-5-21-7-9-23(10-8-21)11-12-24-13-17-25(18-14-24)27(28)29-26-19-15-22(6-4-2)16-20-26;1-3-5-21-6-8-22(9-7-21)10-11-23-12-16-24(17-13-23)26(27)28-25-18-14-20(4-2)15-19-25/h12-15,20-21,24-29,31,34H,3-11,18-19,22-23H2,1-2H3;2*11-14,19-20,23-28,30,33H,3-10,17-18,21-22H2,1-2H3;9-12,17-18,21-27,31H,3-8,15-16,19-20H2,1-2H3;9-12,17-18,21-26,28,31H,3-8,15-16,19-20H2,1-2H3;12-15,18-25H,3-11H2,1-2H3;10-12,15-23,26H,2-5,8-9,13-14H2,1H3;11-14,17-24H,3-10H2,1-2H3;5-8,13-14,17-22,24,27H,3-4,11-12,15-16H2,1-2H3;8-10,13-21,24H,2-3,6-7,11-12H2,1H3;2*9-12,15-22H,3-8H2,1-2H3;7-10,13-20H,3-6H2,1-2H3;6-9,12-19H,3-5H2,1-2H3.
What are the key properties of 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate?
1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate has a molecular weight of 6054.72 g/mol, XLogP of 117.60, 109 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-[4-[4-(4-butylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-butylphenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate;1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-ethylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate;1-(4-hexylcyclohexyl)-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;bis(1-pentyl-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene);(4-pentylphenyl) 4-[2-(4-hexylphenyl)ethynyl]benzoate;(4-pentylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;1-pentyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene;(4-propylphenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate;(4-propylphenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate is sourced from PubChem (CID 161382018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).