C382H371F9 — CID 161411755
1,3-difluoro-2-methyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[(4-methylcyclohexyl)methyl]-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-methyl-4-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,2,4-trimethyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene (PubChem CID 161411755) has the molecular formula C382H371F9 and a molecular weight of 5133.15 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[(4-methylcyclohexyl)methyl]-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-methyl-4-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,2,4-trimethyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene.
| Compound Name | 1,3-difluoro-2-methyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[(4-methylcyclohexyl)methyl]-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-methyl-4-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,2,4-trimethyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene |
|---|---|
| PubChem CID | 161411755 |
| Molecular Formula | C382H371F9 |
| Molecular Weight | 5133.15 g/mol |
| Exact Mass | 5128.89 |
| IUPAC Name | 1,3-difluoro-2-methyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[(4-methylcyclohexyl)methyl]-5-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;1,4-dimethyl-2-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[(4-methylcyclohexyl)methyl]-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-methyl-4-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,2,4-trimethyl-5-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene |
| SMILES | Cc1c(F)cc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2)cc1F.Cc1cc(C)c(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2)cc1C.Cc1cc(F)c(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1ccc(C#Cc2cc(C)c(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2C)cc1.Cc1ccc(C#Cc2ccc(C#Cc3c(C)cc(CC4CCC(C)CC4)cc3C)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3cc(C)c(CC4CCC(C)CC4)c(C)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3cc(C)c(CC4CCC(C)CC4)cc3C)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)c(F)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2)cc1F.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3)cc2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(CC4CCC(C)CC4)cc3F)cc2)cc1 |
| InChI | InChI=1S/5C33H34.2C31H28F2.5C31H29F/c1-24-5-9-28(10-6-24)17-19-32-21-27(4)33(22-26(32)3)20-18-29-13-15-31(16-14-29)23-30-11-7-25(2)8-12-30;1-24-5-9-28(10-6-24)13-14-29-15-17-30(18-16-29)19-20-32-21-27(4)33(22-26(32)3)23-31-11-7-25(2)8-12-31;1-24-5-9-28(10-6-24)13-14-29-15-17-30(18-16-29)19-20-33-26(3)21-32(22-27(33)4)23-31-11-7-25(2)8-12-31;1-24-5-9-28(10-6-24)13-14-29-15-17-30(18-16-29)19-20-32-21-26(3)33(27(4)22-32)23-31-11-7-25(2)8-12-31;1-24-5-7-31(8-6-24)23-32-17-15-29(16-18-32)10-9-28-11-13-30(14-12-28)19-20-33-22-26(3)25(2)21-27(33)4;1-22-3-5-27(6-4-22)19-28-16-13-26(14-17-28)12-9-24-7-10-25(11-8-24)15-18-29-20-30(32)23(2)31(33)21-29;1-22-3-5-27(6-4-22)21-28-15-13-25(14-16-28)8-7-24-9-11-26(12-10-24)17-18-29-30(32)19-23(2)20-31(29)33;1-23-3-7-25(8-4-23)17-19-30-20-18-29(22-31(30)32)16-13-26-11-14-28(15-12-26)21-27-9-5-24(2)6-10-27;1-23-3-7-25(8-4-23)11-12-26-13-15-27(16-14-26)17-19-30-20-18-29(22-31(30)32)21-28-9-5-24(2)6-10-28;1-23-3-7-25(8-4-23)11-12-26-13-15-27(16-14-26)17-18-29-19-20-30(31(32)22-29)21-28-9-5-24(2)6-10-28;1-23-3-6-28(7-4-23)22-29-16-14-26(15-17-29)9-8-25-10-12-27(13-11-25)18-20-30-19-5-24(2)21-31(30)32;1-23-3-6-28(7-4-23)21-29-18-15-27(16-19-29)14-11-25-9-12-26(13-10-25)17-20-30-8-5-24(2)31(32)22-30/h5-6,9-10,13-16,21-22,25,30H,7-8,11-12,23H2,1-4H3;3*5-6,9-10,15-18,21-22,25,31H,7-8,11-12,23H2,1-4H3;11-18,21-22,24,31H,5-8,23H2,1-4H3;7-8,10-11,13-14,16-17,20-22,27H,3-6,19H2,1-2H3;9-16,19-20,22,27H,3-6,21H2,1-2H3;3-4,7-8,11-12,14-15,18,20,22,24,27H,5-6,9-10,21H2,1-2H3;3-4,7-8,13-16,18,20,22,24,28H,5-6,9-10,21H2,1-2H3;3-4,7-8,13-16,19-20,22,24,28H,5-6,9-10,21H2,1-2H3;5,10-17,19,21,23,28H,3-4,6-7,22H2,1-2H3;5,8-10,12-13,15-16,18-19,22-23,28H,3-4,6-7,21H2,1-2H3 |
| InChIKey | VVOCPBYRFYPNTP-UHFFFAOYSA-N |
| XLogP | 90.30 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 24 |
| Heavy Atoms | 391 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5133.15 |
| LogP ≤ 5 | 90.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |