2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine

C169H240N8O — CID 158140181

IUPAC2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine
SMILESCC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(Cc2ccccc2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C16H25N.C16H19N.C16H18.C15H23N.C15H24.C14H22N2.C14H16.2C13H21N.C13H16.C12H19N.C12H16O/c2*1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h9-10,12-13H,4-8,11H2,1-3H3;4-10,12H,11H2,1-3H3;4-12H,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;7-10H,11H2,1-6H3;7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;7-9H,1-6H3;6-7,9-10H,8H2,1-5H3;4-5,7-9H,6H2,1-3H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3
InChIKeyFTVKQMRENCHFOI-UHFFFAOYSA-N
MW2399.83 g/mol
LogP46.23
Rot. Bonds12

About 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine

2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine (PubChem CID 158140181) has the molecular formula C169H240N8O and a molecular weight of 2399.83 g/mol. Its IUPAC name is 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine.

Molecular Properties

Compound Name2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine
PubChem CID158140181
Molecular FormulaC169H240N8O
Molecular Weight2399.83 g/mol
Exact Mass2397.90
IUPAC Name2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine
SMILESCC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(Cc2ccccc2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C16H25N.C16H19N.C16H18.C15H23N.C15H24.C14H22N2.C14H16.2C13H21N.C13H16.C12H19N.C12H16O/c2*1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h9-10,12-13H,4-8,11H2,1-3H3;4-10,12H,11H2,1-3H3;4-12H,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;7-10H,11H2,1-6H3;7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;7-9H,1-6H3;6-7,9-10H,8H2,1-5H3;4-5,7-9H,6H2,1-3H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3
InChIKeyFTVKQMRENCHFOI-UHFFFAOYSA-N
XLogP46.23
TPSA93.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002399.83
LogP ≤ 546.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine with MolForge

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Related Compounds

2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-(2,2-dimethylpropyl)pyridine;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;4-tert-butylquinoline;4-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;2,4-ditert-butylpyridine
CID 160754534
5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]pyrrolo[2,3-b]pyridine
CID 145699015
N-[[4-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethylpyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]methyl]-N-methylpyridin-2-amine
CID 145699077
2-[15-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-6-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58233420
2-[4-(3,5-Ditert-butylphenyl)-6-(2-methoxyphenyl)-2-pyridinyl]-9-pyridin-2-ylcarbazole
CID 89848078
N-[3-[4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 89848430
N-[3-[4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-N-phenylisoquinolin-3-amine
CID 89848437
3-(9,9-Dimethylxanthen-2-yl)-9-[5-[3-(9,9-dimethylxanthen-2-yl)carbazol-9-yl]-2-pyridinyl]carbazole
CID 89909836
2-[1-[[6-(4-Tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine
CID 90033676
N-cyclohexa-1,5-dien-1-yl-N-[(3E)-3-[(13E)-13-[2-(N-(9,9-dimethylfluoren-2-yl)anilino)prop-2-enylidene]-7,14-dimethylidene-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaen-6-ylidene]prop-1-en-2-yl]pyridin-2-amine
CID 118027673
N-[(3E)-3-[(13E)-13-[2-(N-(9,9-dimethylfluoren-2-yl)anilino)prop-2-enylidene]-7,14-dimethylidene-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaen-6-ylidene]prop-1-en-2-yl]-N-phenylpyridin-2-amine
CID 118027769
2-[5-[9,9-Dimethyl-7-[6-(3-methylbenzo[e]benzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-3-methylbenzo[e]benzimidazole
CID 118055789

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine?
The IUPAC name of 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine (CID 158140181) is 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine.
What is the SMILES notation for 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine?
The canonical SMILES for 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine is CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(Cc2ccccc2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine?
The InChIKey is FTVKQMRENCHFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C16H19N.C16H18.C15H23N.C15H24.C14H22N2.C14H16.2C13H21N.C13H16.C12H19N.C12H16O/c2*1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h9-10,12-13H,4-8,11H2,1-3H3;4-10,12H,11H2,1-3H3;4-12H,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;7-10H,11H2,1-6H3;7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;7-9H,1-6H3;6-7,9-10H,8H2,1-5H3;4-5,7-9H,6H2,1-3H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine?
2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine has a molecular weight of 2399.83 g/mol, XLogP of 46.23, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine is sourced from PubChem (CID 158140181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).