5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene

C192H306F3N7S — CID 162303922

About 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene

5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene (PubChem CID 162303922) has the molecular formula C192H306F3N7S and a molecular weight of 2801.67 g/mol. Its IUPAC name is 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
• PubChem CID: 162303922
• Molecular Formula: C192H306F3N7S
• Molecular Weight: 2801.67 g/mol
• Exact Mass: 2799.38
• IUPAC Name: 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
• SMILES: CC(C)(C)C(c1ccccc1C(F)(F)F)C(C)(C)C.CCc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
• InChI: InChI=1S/C20H29N.C19H27N.C16H23F3.4C16H26.4C15H25N.C13H23NS/c1-8-14-10-9-11-16-15(14)12-13-17(21-16)18(19(2,3)4)20(5,6)7;1-13-9-8-10-15-14(13)11-12-16(20-15)17(18(2,3)4)19(5,6)7;1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)16(17,18)19;4*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;4*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h9-13,18H,8H2,1-7H3;8-12,17H,1-7H3;7-10,13H,1-6H3;4*8-11,14H,1-7H3;4*8-10,13H,1-7H3;8,10H,1-7H3
• InChIKey: UEEGHQLTMZLPNX-UHFFFAOYSA-N
• XLogP: 61.15
• TPSA: 90.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2801.67
LogP ≤ 5	61.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?

The IUPAC name of 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene (CID 162303922) is 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene.

What is the SMILES notation for 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?

The canonical SMILES for 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene is CC(C)(C)C(c1ccccc1C(F)(F)F)C(C)(C)C.CCc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1ccc(C(C(C)(C)C)C(C)(C)C)nc1.Cc1cccc2nc(C(C(C)(C)C)C(C)(C)C)ccc12.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.

What is the InChIKey of 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?

The InChIKey is UEEGHQLTMZLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N.C19H27N.C16H23F3.4C16H26.4C15H25N.C13H23NS/c1-8-14-10-9-11-16-15(14)12-13-17(21-16)18(19(2,3)4)20(5,6)7;1-13-9-8-10-15-14(13)11-12-16(20-15)17(18(2,3)4)19(5,6)7;1-14(2,3)13(15(4,5)6)11-9-7-8-10-12(11)16(17,18)19;4*1-12-8-10-13(11-9-12)14(15(2,3)4)16(5,6)7;4*1-11-8-9-12(16-10-11)13(14(2,3)4)15(5,6)7;1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h9-13,18H,8H2,1-7H3;8-12,17H,1-7H3;7-10,13H,1-6H3;4*8-11,14H,1-7H3;4*8-10,13H,1-7H3;8,10H,1-7H3.

What are the key properties of 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene?

5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene has a molecular weight of 2801.67 g/mol, XLogP of 61.15, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;tetrakis(1-methyl-4-(2,2,4,4-tetramethylpentan-3-yl)benzene);tetrakis(5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)pyridine);5-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)quinoline;4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole;1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 162303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).