6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole

C167H199N15O2S — CID 161353245

IUPAC6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole
SMILESCC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(C2=CC=NC2)cc1.CC(C)(C)c1ccc(C2=CSCC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(-c2ccncc2)c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cccc(C2=CC=NC2)c1.Cc1nnnn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/4C15H17N.2C14H17N.C14H16O.C14H18S.2C13H16N2.C13H15NO.C12H16N4/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-9-13-14-15-16(9)11-7-5-10(6-8-11)12(2,3)4/h4*4-11H,1-3H3;2*4-9H,10H2,1-3H3;4-9,15H,1-3H3;4-7,10H,8-9H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;5-8H,1-4H3
InChIKeyVOEUSHIMJHOIOX-UHFFFAOYSA-N
MW2480.60 g/mol
LogP43.84
Rot. Bonds11

About 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole

6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole (PubChem CID 161353245) has the molecular formula C167H199N15O2S and a molecular weight of 2480.60 g/mol. Its IUPAC name is 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole.

Molecular Properties

Compound Name6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole
PubChem CID161353245
Molecular FormulaC167H199N15O2S
Molecular Weight2480.60 g/mol
Exact Mass2478.57
IUPAC Name6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole
SMILESCC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(C2=CC=NC2)cc1.CC(C)(C)c1ccc(C2=CSCC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(-c2ccncc2)c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cccc(C2=CC=NC2)c1.Cc1nnnn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/4C15H17N.2C14H17N.C14H16O.C14H18S.2C13H16N2.C13H15NO.C12H16N4/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-9-13-14-15-16(9)11-7-5-10(6-8-11)12(2,3)4/h4*4-11H,1-3H3;2*4-9H,10H2,1-3H3;4-9,15H,1-3H3;4-7,10H,8-9H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;5-8H,1-4H3
InChIKeyVOEUSHIMJHOIOX-UHFFFAOYSA-N
XLogP43.84
TPSA212.64 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002480.60
LogP ≤ 543.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole with MolForge

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Related Compounds

5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 159683851
1-(3-tert-butyl-2-fluorophenyl)-N,N-dimethylethenamine;1-(3-tert-butyl-2-fluorophenyl)ethanone;1-(3-tert-butyl-2-fluorophenyl)-N-methylethenamine;4-(3-tert-butyl-2-methylphenyl)-1-methylimidazole;5-(3-tert-butyl-2-methylphenyl)-1-methylimidazole;3-(3-tert-butyl-2-methylphenyl)-1-methylpyrazole;4-(3-tert-butyl-2-methylphenyl)-1-methylpyrazole;5-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;5-(3-tert-butyl-2-methylphenyl)-1H-pyrazole;4-(3-tert-butyl-2-methylphenyl)pyridazine;2-(3-tert-butyl-2-methylphenyl)pyridine;3-(3-tert-butyl-2-methylphenyl)pyridine;4-(3-tert-butyl-2-methylphenyl)pyridine
CID 158796678
1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
CID 159253670
6-hydroxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(1,3-oxazol-5-yl)benzoyl]amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[(3-pyridin-3-ylbenzoyl)amino]methyl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]benzamide
CID 161069969

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole?
The IUPAC name of 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole (CID 161353245) is 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole.
What is the SMILES notation for 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole?
The canonical SMILES for 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole is CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(C2=CC=NC2)cc1.CC(C)(C)c1ccc(C2=CSCC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1cccc(-c2cccnc2)c1.CC(C)(C)c1cccc(-c2ccncc2)c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cccc(C2=CC=NC2)c1.Cc1nnnn1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole?
The InChIKey is VOEUSHIMJHOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H17N.2C14H17N.C14H16O.C14H18S.2C13H16N2.C13H15NO.C12H16N4/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-4-6-12(10-14)13-7-5-9-16-11-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-9-13-14-15-16(9)11-7-5-10(6-8-11)12(2,3)4/h4*4-11H,1-3H3;2*4-9H,10H2,1-3H3;4-9,15H,1-3H3;4-7,10H,8-9H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;5-8H,1-4H3.
What are the key properties of 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole?
6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole has a molecular weight of 2480.60 g/mol, XLogP of 43.84, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylnaphthalen-2-ol;4-(4-tert-butylphenyl)-2,3-dihydrothiophene;1-(4-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-5-methyltetrazole;5-(4-tert-butylphenyl)-1,3-oxazole;4-(3-tert-butylphenyl)-1H-pyrazole;3-(3-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;4-(3-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)-2H-pyrrole;3-(4-tert-butylphenyl)-2H-pyrrole is sourced from PubChem (CID 161353245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).