tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine

C49H76N8 — CID 165028023

IUPACtert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1ncc[nH]1
InChIInChI=1S/C10H14.2C9H13N.3C7H12N2/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h4-8H,1-3H3;2*4-7H,1-3H3;3*4-5H,1-3H3,(H,8,9)
InChIKeyMETYSTCSAHQAKV-UHFFFAOYSA-N
MW777.20 g/mol
LogP12.86
Rot. Bonds

About tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine

tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine (PubChem CID 165028023) has the molecular formula C49H76N8 and a molecular weight of 777.20 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine
PubChem CID165028023
Molecular FormulaC49H76N8
Molecular Weight777.20 g/mol
Exact Mass776.62
IUPAC Nametert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1ncc[nH]1
InChIInChI=1S/C10H14.2C9H13N.3C7H12N2/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h4-8H,1-3H3;2*4-7H,1-3H3;3*4-5H,1-3H3,(H,8,9)
InChIKeyMETYSTCSAHQAKV-UHFFFAOYSA-N
XLogP12.86
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.20
LogP ≤ 512.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
CID 159293267
bis(tert-butylbenzene);bis(2-tert-butylpyridine);ethane;1,1,1-trifluoroethane
CID 158321233
2-tert-butyl-5-methoxypyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;ethane;methane
CID 160529531
1-(1H-imidazol-2-yl)-1-phenylethanol
CID 15123322
2-tert-butylpyridine;ethane;methane
CID 143332153
4-tert-butyl-1H-pyrazole;ethane
CID 142062876
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole
CID 159269954
tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium
CID 157078453
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
tert-butylbenzene;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butylpyridine;3-tert-butylpyridine
CID 157069723
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
CID 162129146

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine (CID 165028023) is tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine is CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1ncc[nH]1.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine?
The InChIKey is METYSTCSAHQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C9H13N.3C7H12N2/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h4-8H,1-3H3;2*4-7H,1-3H3;3*4-5H,1-3H3,(H,8,9).
What are the key properties of tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine?
tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine has a molecular weight of 777.20 g/mol, XLogP of 12.86, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine is sourced from PubChem (CID 165028023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).