bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene

C194H307F7N6O4 — CID 160892925

IUPACbis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)F)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(C(F)(F)F)cc(C2(C)CC2)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(F)(F)F)c1.COC(C)(C)c1cc(C(C)C)cc(C2(C)CC2)c1
InChIInChI=1S/2C17H29NO.C17H26O.2C17H26.2C17H28.C16H25F.C16H27N.C15H26N2.C14H20F3NO.C14H17F3/c2*1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;1-12(2)13-9-14(16(3,4)18-6)11-15(10-13)17(5)7-8-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-8-13(15(3,4)5)10-14(9-12)16(6,7)17;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(14(15,16)17)18-12(7-10)19-8-13(3,4)5;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)14(15,16)17/h2*9-10,12H,11H2,1-8H3;9-12H,7-8H2,1-6H3;2*9-12H,7-8H2,1-6H3;2*9-12H,1-8H3;8-11H,1-7H3;9-11H,1-8H3;9-10H,1-8H3;6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3
InChIKeySOMVCEKHYRWAJM-UHFFFAOYSA-N
MW2920.61 g/mol
LogP59.56
Rot. Bonds25

About bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene

bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene (PubChem CID 160892925) has the molecular formula C194H307F7N6O4 and a molecular weight of 2920.61 g/mol. Its IUPAC name is bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Namebis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene
PubChem CID160892925
Molecular FormulaC194H307F7N6O4
Molecular Weight2920.61 g/mol
Exact Mass2918.39
IUPAC Namebis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)F)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(C(F)(F)F)cc(C2(C)CC2)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(F)(F)F)c1.COC(C)(C)c1cc(C(C)C)cc(C2(C)CC2)c1
InChIInChI=1S/2C17H29NO.C17H26O.2C17H26.2C17H28.C16H25F.C16H27N.C15H26N2.C14H20F3NO.C14H17F3/c2*1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;1-12(2)13-9-14(16(3,4)18-6)11-15(10-13)17(5)7-8-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-8-13(15(3,4)5)10-14(9-12)16(6,7)17;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(14(15,16)17)18-12(7-10)19-8-13(3,4)5;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)14(15,16)17/h2*9-10,12H,11H2,1-8H3;9-12H,7-8H2,1-6H3;2*9-12H,7-8H2,1-6H3;2*9-12H,1-8H3;8-11H,1-7H3;9-11H,1-8H3;9-10H,1-8H3;6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3
InChIKeySOMVCEKHYRWAJM-UHFFFAOYSA-N
XLogP59.56
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002920.61
LogP ≤ 559.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?
The IUPAC name of bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene (CID 160892925) is bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene.
What is the SMILES notation for bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?
The canonical SMILES for bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene is CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)F)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)cc(C2(C)CC2)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1.CC(C)c1cc(C(F)(F)F)cc(C2(C)CC2)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(F)(F)F)c1.COC(C)(C)c1cc(C(C)C)cc(C2(C)CC2)c1.
What is the InChIKey of bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?
The InChIKey is SOMVCEKHYRWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H29NO.C17H26O.2C17H26.2C17H28.C16H25F.C16H27N.C15H26N2.C14H20F3NO.C14H17F3/c2*1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;1-12(2)13-9-14(16(3,4)18-6)11-15(10-13)17(5)7-8-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6)7-8-17;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-8-13(15(3,4)5)10-14(9-12)16(6,7)17;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-10(2)11-9-12(14(3,4)5)17-13(16-11)15(6,7)8;1-9(2)10-6-11(14(15,16)17)18-12(7-10)19-8-13(3,4)5;1-9(2)10-6-11(13(3)4-5-13)8-12(7-10)14(15,16)17/h2*9-10,12H,11H2,1-8H3;9-12H,7-8H2,1-6H3;2*9-12H,7-8H2,1-6H3;2*9-12H,1-8H3;8-11H,1-7H3;9-11H,1-8H3;9-10H,1-8H3;6-7,9H,8H2,1-5H3;6-9H,4-5H2,1-3H3.
What are the key properties of bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene?
bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene has a molecular weight of 2920.61 g/mol, XLogP of 59.56, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine);1-tert-butyl-3-(2-fluoropropan-2-yl)-5-propan-2-ylbenzene;bis(1-tert-butyl-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2,4-ditert-butyl-6-propan-2-ylpyrimidine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(2-methoxypropan-2-yl)-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 160892925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).