C356H345F15 — CID 159157980
1,3-difluoro-2-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;5-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;5-[2-[3-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene (PubChem CID 159157980) has the molecular formula C356H345F15 and a molecular weight of 4908.65 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;5-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;5-[2-[3-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene.
| Compound Name | 1,3-difluoro-2-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;5-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;5-[2-[3-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene |
|---|---|
| PubChem CID | 159157980 |
| Molecular Formula | C356H345F15 |
| Molecular Weight | 4908.65 g/mol |
| Exact Mass | 4904.68 |
| IUPAC Name | 1,3-difluoro-2-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;5-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;5-[2-[3-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene |
| SMILES | Cc1cc(C#Cc2ccc(C#Cc3cc(F)c(C)c(F)c3)cc2)ccc1CC1CCC(C)CC1.Cc1cc(F)c(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)c(C)c3)cc2)c(F)c1.Cc1ccc(C#Cc2c(C)cc(C#Cc3ccc(CC4CCC(C)CC4)c(F)c3)cc2C)cc1.Cc1ccc(C#Cc2c(C)cc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2C)c(F)c1.Cc1ccc(C#Cc2c(C)cc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2C)cc1F.Cc1ccc(C#Cc2c(C)cc(C#Cc3ccc(CC4CCC(C)CC4)cc3F)cc2C)cc1.Cc1ccc(C#Cc2c(F)cc(C#Cc3ccc(CC4CCC(C)CC4)c(C)c3)cc2F)cc1.Cc1ccc(C#Cc2cc(F)c(C#Cc3ccc(CC4CCC(C)CC4)c(C)c3)c(F)c2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)c(C)c3)c(F)c2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)c(C)c3)cc2)c(F)c1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)c(C)c3)cc2F)cc1 |
| InChI | InChI=1S/4C33H33F.4C32H30F2.3C32H31F/c1-23-5-9-27(10-6-23)15-18-32-25(3)19-29(20-26(32)4)13-16-31-17-14-30(22-33(31)34)21-28-11-7-24(2)8-12-28;1-23-5-9-27(10-6-23)16-18-32-25(3)19-30(20-26(32)4)14-13-29-15-17-31(33(34)22-29)21-28-11-7-24(2)8-12-28;1-23-5-8-28(9-6-23)22-29-13-10-27(11-14-29)12-15-30-20-25(3)32(26(4)21-30)18-17-31-16-7-24(2)19-33(31)34;1-23-5-8-28(9-6-23)21-29-14-11-27(12-15-29)13-16-31-19-25(3)32(26(4)20-31)18-17-30-10-7-24(2)33(34)22-30;1-22-4-8-25(9-5-22)15-17-30-31(33)20-28(21-32(30)34)13-12-26-14-16-29(24(3)18-26)19-27-10-6-23(2)7-11-27;1-22-4-8-25(9-5-22)12-13-28-20-31(33)30(32(34)21-28)17-15-26-14-16-29(24(3)18-26)19-27-10-6-23(2)7-11-27;1-22-4-6-28(7-5-22)19-30-17-16-27(18-23(30)2)14-12-25-8-10-26(11-9-25)13-15-29-20-31(33)24(3)32(34)21-29;1-22-4-6-28(7-5-22)21-29-16-14-27(20-24(29)3)13-12-25-8-10-26(11-9-25)15-17-30-31(33)18-23(2)19-32(30)34;1-23-4-8-26(9-5-23)14-17-30-18-15-29(22-32(30)33)13-12-27-16-19-31(25(3)20-27)21-28-10-6-24(2)7-11-28;1-23-4-8-26(9-5-23)12-13-29-15-18-30(32(33)22-29)17-14-27-16-19-31(25(3)20-27)21-28-10-6-24(2)7-11-28;1-23-4-7-29(8-5-23)22-31-19-16-28(21-25(31)3)14-13-26-9-11-27(12-10-26)15-18-30-17-6-24(2)20-32(30)33/h5-6,9-10,14,17,19-20,22,24,28H,7-8,11-12,21H2,1-4H3;5-6,9-10,15,17,19-20,22,24,28H,7-8,11-12,21H2,1-4H3;7,10-11,13-14,16,19-21,23,28H,5-6,8-9,22H2,1-4H3;7,10-12,14-15,19-20,22-23,28H,5-6,8-9,21H2,1-4H3;2*4-5,8-9,14,16,18,20-21,23,27H,6-7,10-11,19H2,1-3H3;8-11,16-18,20-22,28H,4-7,19H2,1-3H3;8-11,14,16,18-20,22,28H,4-7,21H2,1-3H3;2*4-5,8-9,15-16,18-20,22,24,28H,6-7,10-11,21H2,1-3H3;6,9-12,16-17,19-21,23,29H,4-5,7-8,22H2,1-3H3 |
| InChIKey | KKDBDRWYSIMYHF-UHFFFAOYSA-N |
| XLogP | 85.51 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 22 |
| Heavy Atoms | 371 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4908.65 |
| LogP ≤ 5 | 85.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |