bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)

C188H334N14O4S4 — CID 157438329

IUPACbis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
SMILESCC(C)c1cc(C(C)(C)C)[nH]c1C(C)C.CC(C)c1cc(C(C)(C)C)[nH]c1C(C)C.CC(C)c1cc(C(C)(C)C)nn1C(C)C.CC(C)c1cc(C(C)(C)C)nn1C(C)C.CC(C)c1cc(C(C)(C)C)oc1C(C)C.CC(C)c1cc(C(C)(C)C)oc1C(C)C.CC(C)c1cc(C(C)(C)C)sc1C(C)C.CC(C)c1cc(C(C)(C)C)sc1C(C)C.CC(C)c1cn(C(C)(C)C)nc1C(C)C.CC(C)c1cn(C(C)(C)C)nc1C(C)C.CC(C)c1nc(C(C)(C)C)oc1C(C)C.CC(C)c1nc(C(C)(C)C)oc1C(C)C.CC(C)c1nc(C(C)(C)C)sc1C(C)C.CC(C)c1nc(C(C)(C)C)sc1C(C)C
InChIInChI=1S/2C14H25N.2C14H24O.2C14H24S.4C13H24N2.2C13H23NO.2C13H23NS/c6*1-9(2)11-8-12(14(5,6)7)15-13(11)10(3)4;2*1-9(2)11-8-15(13(5,6)7)14-12(11)10(3)4;2*1-9(2)11-8-12(13(5,6)7)14-15(11)10(3)4;4*1-8(2)10-11(9(3)4)15-12(14-10)13(5,6)7/h2*8-10,15H,1-7H3;8*8-10H,1-7H3;4*8-9H,1-7H3
InChIKeyBRJFHXXKMMRSHR-UHFFFAOYSA-N
MW2983.10 g/mol
LogP62.70
Rot. Bonds28

About bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)

bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene) (PubChem CID 157438329) has the molecular formula C188H334N14O4S4 and a molecular weight of 2983.10 g/mol. Its IUPAC name is bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene).

Molecular Properties

Compound Namebis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
PubChem CID157438329
Molecular FormulaC188H334N14O4S4
Molecular Weight2983.10 g/mol
Exact Mass2980.52
IUPAC Namebis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
SMILESCC(C)c1cc(C(C)(C)C)[nH]c1C(C)C.CC(C)c1cc(C(C)(C)C)[nH]c1C(C)C.CC(C)c1cc(C(C)(C)C)nn1C(C)C.CC(C)c1cc(C(C)(C)C)nn1C(C)C.CC(C)c1cc(C(C)(C)C)oc1C(C)C.CC(C)c1cc(C(C)(C)C)oc1C(C)C.CC(C)c1cc(C(C)(C)C)sc1C(C)C.CC(C)c1cc(C(C)(C)C)sc1C(C)C.CC(C)c1cn(C(C)(C)C)nc1C(C)C.CC(C)c1cn(C(C)(C)C)nc1C(C)C.CC(C)c1nc(C(C)(C)C)oc1C(C)C.CC(C)c1nc(C(C)(C)C)oc1C(C)C.CC(C)c1nc(C(C)(C)C)sc1C(C)C.CC(C)c1nc(C(C)(C)C)sc1C(C)C
InChIInChI=1S/2C14H25N.2C14H24O.2C14H24S.4C13H24N2.2C13H23NO.2C13H23NS/c6*1-9(2)11-8-12(14(5,6)7)15-13(11)10(3)4;2*1-9(2)11-8-15(13(5,6)7)14-12(11)10(3)4;2*1-9(2)11-8-12(13(5,6)7)14-15(11)10(3)4;4*1-8(2)10-11(9(3)4)15-12(14-10)13(5,6)7/h2*8-10,15H,1-7H3;8*8-10H,1-7H3;4*8-9H,1-7H3
InChIKeyBRJFHXXKMMRSHR-UHFFFAOYSA-N
XLogP62.70
TPSA206.98 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002983.10
LogP ≤ 562.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene) with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
2,5-dimethyl-6,7-dihydro-1H-benzimidazole;2,5-dimethyl-6,7-dihydro-1-benzofuran;2,6-dimethyl-4,5-dihydro-1-benzofuran;2,5-dimethyl-6,7-dihydro-1,3-benzothiazole;2,6-dimethyl-4,5-dihydro-1,3-benzothiazole;2,5-dimethyl-6,7-dihydro-1-benzothiophene;2,6-dimethyl-4,5-dihydro-1-benzothiophene;2,6-dimethyl-4,5-dihydrobenzotriazole;2,5-dimethyl-6,7-dihydro-1,3-benzoxazole;2,6-dimethyl-4,5-dihydro-1,3-benzoxazole;2,5-dimethyl-6,7-dihydroindazole;2,6-dimethyl-4,5-dihydroindazole;2,6-dimethyl-4,5-dihydro-1H-indene;2,5-dimethyl-6,7-dihydro-1H-indole;2,5-dimethyl-6,7-dihydro-3H-indole
CID 157181822
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
1-(2,2-dimethylpropyl)cyclopenta-1,3-diene;2-(2,2-dimethylpropyl)furan;4-(2,2-dimethylpropyl)-2H-imidazole;4-(2,2-dimethylpropyl)-2-methyl-5H-1,3-oxazol-5-ide;5-(2,2-dimethylpropyl)-4-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-5-tritio-2,3-dihydropyrrol-3-ide;hexa-2,4-diyne;uranium;yttrium
CID 157470878
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
4-Tert-butyl-2-propan-2-ylfuran;4-tert-butyl-2-propan-2-ylthiophene;2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
CID 157845858
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157878270
1-(3-tert-butyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-one;tetrakis(1,3-ditert-butylcyclopenta-1,3-diene);bis(2,4-ditert-butylfuran);bis(2,5-ditert-butylfuran);2,4-ditert-butyl-1-methylpyrrole;bis(2,4-ditert-butyl-1,3-oxazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(2,5-ditert-butyl-1H-pyrrole);bis(2,5-ditert-butyl-3H-pyrrole);3,5-ditert-butyl-2H-pyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,4-ditert-butylthiophene;1,3-ditert-butyl-1,2,4-triazole
CID 157878420
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157879397
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158034974
1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole
CID 158063938

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)?
The IUPAC name of bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene) (CID 157438329) is bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene).
What is the SMILES notation for bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)?
The canonical SMILES for bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene) is CC(C)c1cc(C(C)(C)C)[nH]c1C(C)C.CC(C)c1cc(C(C)(C)C)[nH]c1C(C)C.CC(C)c1cc(C(C)(C)C)nn1C(C)C.CC(C)c1cc(C(C)(C)C)nn1C(C)C.CC(C)c1cc(C(C)(C)C)oc1C(C)C.CC(C)c1cc(C(C)(C)C)oc1C(C)C.CC(C)c1cc(C(C)(C)C)sc1C(C)C.CC(C)c1cc(C(C)(C)C)sc1C(C)C.CC(C)c1cn(C(C)(C)C)nc1C(C)C.CC(C)c1cn(C(C)(C)C)nc1C(C)C.CC(C)c1nc(C(C)(C)C)oc1C(C)C.CC(C)c1nc(C(C)(C)C)oc1C(C)C.CC(C)c1nc(C(C)(C)C)sc1C(C)C.CC(C)c1nc(C(C)(C)C)sc1C(C)C.
What is the InChIKey of bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)?
The InChIKey is BRJFHXXKMMRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H25N.2C14H24O.2C14H24S.4C13H24N2.2C13H23NO.2C13H23NS/c6*1-9(2)11-8-12(14(5,6)7)15-13(11)10(3)4;2*1-9(2)11-8-15(13(5,6)7)14-12(11)10(3)4;2*1-9(2)11-8-12(13(5,6)7)14-15(11)10(3)4;4*1-8(2)10-11(9(3)4)15-12(14-10)13(5,6)7/h2*8-10,15H,1-7H3;8*8-10H,1-7H3;4*8-9H,1-7H3.
What are the key properties of bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)?
bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene) has a molecular weight of 2983.10 g/mol, XLogP of 62.70, 28 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene) is sourced from PubChem (CID 157438329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).