1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane

C191H334F3N13 — CID 159032686

IUPAC1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane
SMILESC.CC(C)(C)C1=CCN=C1C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)c1ccc(C(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C(C)C(C)C.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C15H21F3.4C15H24.C14H22.6C12H22N2.C12H21N.C9H20.C8H18.CH4/c1-13(2,3)11-8-7-10(15(16,17)18)9-12(11)14(4,5)6;4*1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;6*1-11(2,3)9-8-14(7)13-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-8(2,3)7-9(4,5)6;1-6(2)8(5)7(3)4;/h7-9H,1-6H3;4*8-10H,1-7H3;7-10H,1-6H3;6*8H,1-7H3;7H,8H2,1-6H3;7H2,1-6H3;6-8H,1-5H3;1H4
InChIKeyJVBNWFFWQZEVEW-UHFFFAOYSA-N
MW2869.86 g/mol
LogP56.53
Rot. Bonds2

About 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane

1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane (PubChem CID 159032686) has the molecular formula C191H334F3N13 and a molecular weight of 2869.86 g/mol. Its IUPAC name is 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane.

Molecular Properties

Compound Name1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane
PubChem CID159032686
Molecular FormulaC191H334F3N13
Molecular Weight2869.86 g/mol
Exact Mass2867.65
IUPAC Name1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane
SMILESC.CC(C)(C)C1=CCN=C1C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)c1ccc(C(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C(C)C(C)C.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C15H21F3.4C15H24.C14H22.6C12H22N2.C12H21N.C9H20.C8H18.CH4/c1-13(2,3)11-8-7-10(15(16,17)18)9-12(11)14(4,5)6;4*1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;6*1-11(2,3)9-8-14(7)13-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-8(2,3)7-9(4,5)6;1-6(2)8(5)7(3)4;/h7-9H,1-6H3;4*8-10H,1-7H3;7-10H,1-6H3;6*8H,1-7H3;7H,8H2,1-6H3;7H2,1-6H3;6-8H,1-5H3;1H4
InChIKeyJVBNWFFWQZEVEW-UHFFFAOYSA-N
XLogP56.53
TPSA119.28 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.86
LogP ≤ 556.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butyl-2-methylphenyl)-1-(2,2-difluoropropyl)pyrazole;3-(3-tert-butyl-2-methylphenyl)-1-(2,2-dimethylpropyl)pyrazole;5-(3-tert-butyl-2-methylphenyl)-1-methyl-4H-pyrazol-1-ium;3-(3-tert-butyl-2-methylphenyl)-1-propylpyrazole
CID 157218474
1-(2-Tert-butyl-4-fluorophenyl)pyrazole;2-(2-tert-butyl-5-fluorophenyl)triazole;2-(2-tert-butyl-6-fluorophenyl)triazole;1-(2-tert-butyl-4-methylphenyl)pyrazole;1-(2-tert-butylphenyl)-3-methylpyrazole;1-(2-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)pyrazole;1-(2-tert-butylphenyl)-3-(trifluoromethyl)pyrazole;2-[2-tert-butyl-6-(trifluoromethyl)phenyl]triazole
CID 157506191
3-(3-tert-butyl-2-methylphenyl)-1-(2,2-difluoropropyl)pyrazole;3-(3-tert-butyl-2-methylphenyl)-1-(2,2-dimethylpropyl)pyrazole;5-(3-tert-butyl-2-methylphenyl)-1-methyl-4H-pyrazol-1-ium;3-[3-(3-tert-butyl-2-methylphenyl)pyrazol-1-yl]propanenitrile;methane
CID 158415300
3-cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158492183
4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole-3-carbonitrile;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-5-(trifluoromethyl)-2H-pyrrole;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
CID 159290463
3-Cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;1-(difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 160366227
1,2-ditert-butylbenzene;tris(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;bis(1,2-ditert-butyl-4-(trifluoromethyl)benzene);2,2,3,4-tetramethylpentane;2,2,4,4-tetramethylpentane
CID 160792015
3-Cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;4-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,5-difluoro-4-propan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole;2-fluoro-6-(1-methylpyrazol-4-yl)-3-propan-2-ylbenzonitrile;4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-ylbenzonitrile;2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 161900879
2-(2-Tert-butyl-4-fluorophenyl)triazole;2-(2-tert-butyl-4-methylphenyl)triazole;2-(2-tert-butyl-5-methylphenyl)triazole;bis(2-(2-tert-butyl-6-methylphenyl)triazole);1-(2-tert-butylphenyl)-3-methylpyrazole;1-(2-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)pyrazole;2-(2-tert-butylphenyl)-4-(trifluoromethyl)triazole
CID 168409599
1-(2-Tert-butyl-4-fluorophenyl)pyrazole;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-5-methylphenyl)triazole;bis(2-(2-tert-butyl-6-methylphenyl)triazole);1-(2-tert-butylphenyl)-3-methylpyrazole;1-(2-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)pyrazole;1-(2-tert-butylphenyl)-3-(trifluoromethyl)pyrazole
CID 168414155
Bis(3-anthracen-9-yl-1-[[4-[(5-anthracen-9-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole);benzene
CID 139147019
4-Phenyl-1-[[2,4,6-triethyl-3,5-bis[(4-phenylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole
CID 139179213

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane?
The IUPAC name of 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane (CID 159032686) is 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane.
What is the SMILES notation for 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane?
The canonical SMILES for 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane is C.CC(C)(C)C1=CCN=C1C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)c1ccc(C(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C(C)C(C)C.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.Cn1cc(C(C)(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane?
The InChIKey is JVBNWFFWQZEVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3.4C15H24.C14H22.6C12H22N2.C12H21N.C9H20.C8H18.CH4/c1-13(2,3)11-8-7-10(15(16,17)18)9-12(11)14(4,5)6;4*1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;6*1-11(2,3)9-8-14(7)13-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-8(2,3)7-9(4,5)6;1-6(2)8(5)7(3)4;/h7-9H,1-6H3;4*8-10H,1-7H3;7-10H,1-6H3;6*8H,1-7H3;7H,8H2,1-6H3;7H2,1-6H3;6-8H,1-5H3;1H4.
What are the key properties of 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane?
1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane has a molecular weight of 2869.86 g/mol, XLogP of 56.53, 2 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylbenzene;tetrakis(1,2-ditert-butyl-4-methylbenzene);hexakis(3,4-ditert-butyl-1-methylpyrazole);4,5-ditert-butyl-2H-pyrrole;1,2-ditert-butyl-4-(trifluoromethyl)benzene;methane;2,2,4,4-tetramethylpentane;2,3,4-trimethylpentane is sourced from PubChem (CID 159032686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).