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);bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene

C186H302F3N7S2 — CID 162303923

IUPAC5-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);bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
SMILESCC(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.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C20H29N.C16H23F3.4C16H26.4C15H25N.2C13H23NS/c1-8-14-10-9-11-16-15(14)12-13-17(21-16)18(19(2,3)4)20(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;2*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h9-13,18H,8H2,1-7H3;7-10,13H,1-6H3;4*8-11,14H,1-7H3;4*8-10,13H,1-7H3;2*8,10H,1-7H3
InChIKeyGPYLHWYVAMPWGL-UHFFFAOYSA-N
MW2757.64 g/mol
LogP60.06
Rot. Bonds13

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);bis(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);bis(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 162303923) has the molecular formula C186H302F3N7S2 and a molecular weight of 2757.64 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);bis(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 Name5-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);bis(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 CID162303923
Molecular FormulaC186H302F3N7S2
Molecular Weight2757.64 g/mol
Exact Mass2755.32
IUPAC Name5-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);bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene
SMILESCC(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.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C20H29N.C16H23F3.4C16H26.4C15H25N.2C13H23NS/c1-8-14-10-9-11-16-15(14)12-13-17(21-16)18(19(2,3)4)20(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;2*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h9-13,18H,8H2,1-7H3;7-10,13H,1-6H3;4*8-11,14H,1-7H3;4*8-10,13H,1-7H3;2*8,10H,1-7H3
InChIKeyGPYLHWYVAMPWGL-UHFFFAOYSA-N
XLogP60.06
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002757.64
LogP ≤ 560.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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);bis(4-methyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1,3-thiazole);1-(2,2,4,4-tetramethylpentan-3-yl)-2-(trifluoromethyl)benzene with MolForge

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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);bis(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);bis(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 162303923) 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);bis(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);bis(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);bis(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.Cc1csc(C(C(C)(C)C)C(C)(C)C)n1.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);bis(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 GPYLHWYVAMPWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N.C16H23F3.4C16H26.4C15H25N.2C13H23NS/c1-8-14-10-9-11-16-15(14)12-13-17(21-16)18(19(2,3)4)20(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;2*1-9-8-15-11(14-9)10(12(2,3)4)13(5,6)7/h9-13,18H,8H2,1-7H3;7-10,13H,1-6H3;4*8-11,14H,1-7H3;4*8-10,13H,1-7H3;2*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);bis(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);bis(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 2757.64 g/mol, XLogP of 60.06, 13 rotatable bonds, 0 hydrogen bond donors, and 9 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);bis(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 162303923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).