1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane

C124H144N4OS — CID 158901906

IUPAC1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane
SMILESC.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccc2)cs1.Cc1ccc(-c2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C16H19N.C16H18O.3C16H18.2C15H17N.C13H15NS.CH4/c1-12-8-9-14(11-17-12)13-6-5-7-15(10-13)16(2,3)4;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;2*1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;/h5-11H,1-4H3;4-12H,1-3H3;3*4-12H,1-3H3;2*4-11H,1-3H3;4-9H,1-3H3;1H4
InChIKeyJFOBHYNPMNDFNR-UHFFFAOYSA-N
MW1738.61 g/mol
LogP35.92
Rot. Bonds9

About 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane

1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane (PubChem CID 158901906) has the molecular formula C124H144N4OS and a molecular weight of 1738.61 g/mol. Its IUPAC name is 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane.

Molecular Properties

Compound Name1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane
PubChem CID158901906
Molecular FormulaC124H144N4OS
Molecular Weight1738.61 g/mol
Exact Mass1737.11
IUPAC Name1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane
SMILESC.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccc2)cs1.Cc1ccc(-c2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C16H19N.C16H18O.3C16H18.2C15H17N.C13H15NS.CH4/c1-12-8-9-14(11-17-12)13-6-5-7-15(10-13)16(2,3)4;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;2*1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;/h5-11H,1-4H3;4-12H,1-3H3;3*4-12H,1-3H3;2*4-11H,1-3H3;4-9H,1-3H3;1H4
InChIKeyJFOBHYNPMNDFNR-UHFFFAOYSA-N
XLogP35.92
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001738.61
LogP ≤ 535.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane 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

4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-(6-Methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347621
4-(2,4-Dimethylphenyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 2742360
2-[4-(4-Ethoxy-3-methylphenyl)butyl]-4-(6-fluoro-3-pyridinyl)-5-(4-phenylphenyl)-1,3-thiazole
CID 143147297
2-[[2-[2-[1-(2,2-Dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole
CID 147265980
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
CID 157167380
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 157310289
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157317069
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 157513480
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;bis(1-tert-butyl-3-propan-2-ylbenzene);1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1-ethyl-3-propan-2-ylbenzene;methane
CID 158563667
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 158648625
1-(1-tert-butylcyclopropyl)-4-fluorobenzene;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-fluoro-4-(2,3,3-trimethylbutan-2-yl)benzene;4-[(2S)-3-methylbutan-2-yl]benzonitrile;2-[(2S)-3-methylbutan-2-yl]pyridine;4-methyl-3-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2,2,4,4-tetramethylpentane
CID 158773597

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane?
The IUPAC name of 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane (CID 158901906) is 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane.
What is the SMILES notation for 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane?
The canonical SMILES for 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane is C.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccc2)cs1.Cc1ccc(-c2cccc(C(C)(C)C)c2)cn1.
What is the InChIKey of 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane?
The InChIKey is JFOBHYNPMNDFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.C16H18O.3C16H18.2C15H17N.C13H15NS.CH4/c1-12-8-9-14(11-17-12)13-6-5-7-15(10-13)16(2,3)4;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;2*1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;/h5-11H,1-4H3;4-12H,1-3H3;3*4-12H,1-3H3;2*4-11H,1-3H3;4-9H,1-3H3;1H4.
What are the key properties of 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane?
1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane has a molecular weight of 1738.61 g/mol, XLogP of 35.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-phenoxybenzene;1-tert-butyl-3-phenylbenzene;bis(1-tert-butyl-4-phenylbenzene);5-(3-tert-butylphenyl)-2-methylpyridine;bis(3-(3-tert-butylphenyl)pyridine);2-tert-butyl-4-phenyl-1,3-thiazole;methane is sourced from PubChem (CID 158901906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).