4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole

C117H183N9OS2 — CID 157180046

IUPAC4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1cc(C(C)(C)C)cn1C.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C17H23N.C14H18O.C12H21N.C12H18.C11H19N.2C11H17N.C10H18N2.C10H17NS.C9H15NS/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-7-10(8-13(11)6)12(3,4)5;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-11(9(3)4)12(5)7-10;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-11-6-8(12-9)10(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4/h6-13H,1-5H3;5-10H,1-4H3;7-9H,1-6H3;5-10H,1-4H3;6-9H,1-5H3;2*5-9H,1-4H3;6-8H,1-5H3;6-7H,1-5H3;5-7H,1-4H3
InChIKeyAOLUOPOGYIDEBI-UHFFFAOYSA-N
MW1795.95 g/mol
LogP36.55
Rot. Bonds19

About 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole

4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole (PubChem CID 157180046) has the molecular formula C117H183N9OS2 and a molecular weight of 1795.95 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
PubChem CID157180046
Molecular FormulaC117H183N9OS2
Molecular Weight1795.95 g/mol
Exact Mass1794.40
IUPAC Name4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1cc(C(C)(C)C)cn1C.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C17H23N.C14H18O.C12H21N.C12H18.C11H19N.2C11H17N.C10H18N2.C10H17NS.C9H15NS/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-7-10(8-13(11)6)12(3,4)5;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-11(9(3)4)12(5)7-10;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-11-6-8(12-9)10(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4/h6-13H,1-5H3;5-10H,1-4H3;7-9H,1-6H3;5-10H,1-4H3;6-9H,1-5H3;2*5-9H,1-4H3;6-8H,1-5H3;6-7H,1-5H3;5-7H,1-4H3
InChIKeyAOLUOPOGYIDEBI-UHFFFAOYSA-N
XLogP36.55
TPSA97.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.95
LogP ≤ 536.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole with MolForge

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Related Compounds

[4-[4-(1-Ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 87459741
[4-[4-(1-Ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 87460097
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 57958355
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
CID 59359313
CID 59359313
4-Dibenzofuran-2-yl-2-(5-methylthiophen-2-yl)-1-phenylimidazole
CID 89840500
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1H-imidazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 117983917
4-[8-([1]Benzothiolo[2,3-b]pyrazin-6-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118245526
2-[2-[3-[3-[1-Methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118245953
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118446294
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118474430
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 123589093

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
The IUPAC name of 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole (CID 157180046) is 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole.
What is the SMILES notation for 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
The canonical SMILES for 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole is CC(C)c1cc(C(C)(C)C)cn1C.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1ncc(C(C)(C)C)s1.
What is the InChIKey of 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
The InChIKey is AOLUOPOGYIDEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C14H18O.C12H21N.C12H18.C11H19N.2C11H17N.C10H18N2.C10H17NS.C9H15NS/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-7-10(8-13(11)6)12(3,4)5;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-11(9(3)4)12(5)7-10;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-11-6-8(12-9)10(3,4)5;1-6(2)8-5-11-9(10-8)7(3)4/h6-13H,1-5H3;5-10H,1-4H3;7-9H,1-6H3;5-10H,1-4H3;6-9H,1-5H3;2*5-9H,1-4H3;6-8H,1-5H3;6-7H,1-5H3;5-7H,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole has a molecular weight of 1795.95 g/mol, XLogP of 36.55, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole is sourced from PubChem (CID 157180046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).