bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)

C158H282N6O2S4 — CID 158648267

IUPACbis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1
InChIInChI=1S/4C16H29N.2C16H28O.2C16H28S.2C15H27NS/c2*1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;6*1-14(2,3)11-10-12(15(4,5)6)17-13(11)16(7,8)9;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h2*10-11H,1-9H3;2*10,17H,1-9H3;4*10H,1-9H3;2*1-9H3
InChIKeyIBFTUURZMFFAOC-UHFFFAOYSA-N
MW2426.30 g/mol
LogP51.19
Rot. Bonds

About bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)

bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) (PubChem CID 158648267) has the molecular formula C158H282N6O2S4 and a molecular weight of 2426.30 g/mol. Its IUPAC name is bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene).

Molecular Properties

Compound Namebis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)
PubChem CID158648267
Molecular FormulaC158H282N6O2S4
Molecular Weight2426.30 g/mol
Exact Mass2424.10
IUPAC Namebis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1
InChIInChI=1S/4C16H29N.2C16H28O.2C16H28S.2C15H27NS/c2*1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;6*1-14(2,3)11-10-12(15(4,5)6)17-13(11)16(7,8)9;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h2*10-11H,1-9H3;2*10,17H,1-9H3;4*10H,1-9H3;2*1-9H3
InChIKeyIBFTUURZMFFAOC-UHFFFAOYSA-N
XLogP51.19
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002426.30
LogP ≤ 551.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157175649
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
CID 157371707
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157431953
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
1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157557913
2-[4-[3,5-bis[4-(furan-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]furan;1-[4-[3,5-bis(4-pyrrol-1-ylthiophen-3-yl)phenyl]thiophen-3-yl]pyrrole;2-[4-[3,5-bis[4-(1H-pyrrol-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]-1H-pyrrole;3-[3,5-bis(4-thiophen-3-ylthiophen-3-yl)phenyl]-4-thiophen-3-ylthiophene
CID 157582055
3-tert-butylfuran;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;2-ethyl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157665999
bis(2,4-dimethylfuran);bis(2,4-dimethyl-1H-pyrrole);bis(2,4-dimethylthiophene);1,3-xylene
CID 157715550
2,3,4,5-Tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157801644
bis(2,3-dimethylfuran);2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene);3,4-dimethylthiophene
CID 157852963
3-tert-butylfuran;3-tert-butyl-1H-pyrrole;3-tert-butylthiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
CID 157884092

Frequently Asked Questions

What is the IUPAC name of bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?
The IUPAC name of bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) (CID 158648267) is bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene).
What is the SMILES notation for bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?
The canonical SMILES for bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) is CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)n(C(C)(C)C)c1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.
What is the InChIKey of bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?
The InChIKey is IBFTUURZMFFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H29N.2C16H28O.2C16H28S.2C15H27NS/c2*1-14(2,3)12-10-13(15(4,5)6)17(11-12)16(7,8)9;6*1-14(2,3)11-10-12(15(4,5)6)17-13(11)16(7,8)9;2*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h2*10-11H,1-9H3;2*10,17H,1-9H3;4*10H,1-9H3;2*1-9H3.
What are the key properties of bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene)?
bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) has a molecular weight of 2426.30 g/mol, XLogP of 51.19, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,5-tritert-butylfuran);bis(1,2,4-tritert-butylpyrrole);bis(2,3,5-tritert-butyl-1H-pyrrole);bis(2,4,5-tritert-butyl-1,3-thiazole);bis(2,3,5-tritert-butylthiophene) is sourced from PubChem (CID 158648267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).