5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine

C85H116N10OS — CID 162148110

IUPAC5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
SMILESCC(C)(C)C=Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1nccn2ccnc12.CC(C)(C)Oc1ncnc2ccsc12.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn[nH]c1
InChIInChI=1S/C13H15N.C13H18.C12H16.C11H15N3.C10H12N2OS.C10H15N.C9H13N.C7H12N2/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-10-13-5-7-14(10)6-4-12-9;1-10(2,3)13-9-8-7(4-5-14-8)11-6-12-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)6-4-8-9-5-6/h4-9H,1-3H3;7-9H,4-6H2,1-3H3;4-10H,1-3H3;4-7H,8H2,1-3H3;4-6H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyZKVJBHSFHASHAH-UHFFFAOYSA-N
MW1326.00 g/mol
LogP22.69
Rot. Bonds4

About 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine

5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine (PubChem CID 162148110) has the molecular formula C85H116N10OS and a molecular weight of 1326.00 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
PubChem CID162148110
Molecular FormulaC85H116N10OS
Molecular Weight1326.00 g/mol
Exact Mass1324.91
IUPAC Name5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
SMILESCC(C)(C)C=Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1nccn2ccnc12.CC(C)(C)Oc1ncnc2ccsc12.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn[nH]c1
InChIInChI=1S/C13H15N.C13H18.C12H16.C11H15N3.C10H12N2OS.C10H15N.C9H13N.C7H12N2/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-10-13-5-7-14(10)6-4-12-9;1-10(2,3)13-9-8-7(4-5-14-8)11-6-12-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)6-4-8-9-5-6/h4-9H,1-3H3;7-9H,4-6H2,1-3H3;4-10H,1-3H3;4-7H,8H2,1-3H3;4-6H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyZKVJBHSFHASHAH-UHFFFAOYSA-N
XLogP22.69
TPSA132.55 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.00
LogP ≤ 522.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine with MolForge

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Related Compounds

tert-butylbenzene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
CID 157509448
5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butylquinoline;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;methane;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine
CID 159054722
2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 160562502

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine (CID 162148110) is 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine is CC(C)(C)C=Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1nccn2ccnc12.CC(C)(C)Oc1ncnc2ccsc12.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn[nH]c1.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
The InChIKey is ZKVJBHSFHASHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H18.C12H16.C11H15N3.C10H12N2OS.C10H15N.C9H13N.C7H12N2/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-10-13-5-7-14(10)6-4-12-9;1-10(2,3)13-9-8-7(4-5-14-8)11-6-12-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)6-4-8-9-5-6/h4-9H,1-3H3;7-9H,4-6H2,1-3H3;4-10H,1-3H3;4-7H,8H2,1-3H3;4-6H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine?
5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine has a molecular weight of 1326.00 g/mol, XLogP of 22.69, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;6-tert-butylquinoline;3,3-dimethylbut-1-enylbenzene;8-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazine;2-(2,2-dimethylpropyl)pyridine;4-[(2-methylpropan-2-yl)oxy]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 162148110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).