tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)

C66H105N5O2S2 — CID 158793589

IUPACtris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)
SMILESCc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/3C9H15N.2C8H12O.2C8H12S.C7H12N2/c3*1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)8(4)9-7(5)3;1-5-6(2)9(4)7(3)8-5/h3*1-5H3;5*1-4H3
InChIKeyISOVTGWHYHDGMG-UHFFFAOYSA-N
MW1064.73 g/mol
LogP19.11
Rot. Bonds

About tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)

tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene) (PubChem CID 158793589) has the molecular formula C66H105N5O2S2 and a molecular weight of 1064.73 g/mol. Its IUPAC name is tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene).

Molecular Properties

Compound Nametris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)
PubChem CID158793589
Molecular FormulaC66H105N5O2S2
Molecular Weight1064.73 g/mol
Exact Mass1063.77
IUPAC Nametris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)
SMILESCc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
InChIInChI=1S/3C9H15N.2C8H12O.2C8H12S.C7H12N2/c3*1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)8(4)9-7(5)3;1-5-6(2)9(4)7(3)8-5/h3*1-5H3;5*1-4H3
InChIKeyISOVTGWHYHDGMG-UHFFFAOYSA-N
XLogP19.11
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.73
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene) 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

1,2,3,4,5,6-Hexamethylbenzene;bis(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);bis(1,2,4,5-tetramethylimidazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-thiazole
CID 157584037
2,5-Dimethylfuran;2,5-dimethylthiophene;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,3,5-trimethylpyrazole;1,2,5-trimethylpyrrole;2,3,5-trimethylthiophene
CID 158604568
2,2,3,3,5,5,6,6,7,7-Decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole
CID 159578737
1,2,3,4,5-Pentamethylpyrrole;2,3,4,5-tetramethylfuran;bis(1,2,4,5-tetramethylimidazole);2,3,4,5-tetramethylthiophene;bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 159594184
Tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 159600083
2,2,3,3,5,5,6,6,7,7-Decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;bis(2,4,5-trimethyl-1,3-thiazole)
CID 160733762
2,2,3,3,5,5,6,6,7,7-Decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole)
CID 161058944
N-tert-butyl-N,2-dimethylpropan-2-amine;2,5-ditert-butyl-1,4-dimethylimidazole;ditert-butyl(dimethyl)silane;2,5-ditert-butyl-3,4-dimethylthiophene;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran
CID 161152295
3,4-Dimethyl-2,5-di(propan-2-yl)furan;1,5-dimethyl-2,4-di(propan-2-yl)imidazole;bis(4,5-dimethyl-1,3-di(propan-2-yl)pyrazole);3,4-dimethyl-2,5-di(propan-2-yl)thiophene;1,2,4-trimethyl-3,5-di(propan-2-yl)pyrrole;1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole;2,3,5-trimethyl-1,4-di(propan-2-yl)pyrrole
CID 161599788

Frequently Asked Questions

What is the IUPAC name of tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)?
The IUPAC name of tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene) (CID 158793589) is tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene).
What is the SMILES notation for tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)?
The canonical SMILES for tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene) is Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C.
What is the InChIKey of tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)?
The InChIKey is ISOVTGWHYHDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15N.2C8H12O.2C8H12S.C7H12N2/c3*1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)8(4)9-7(5)3;1-5-6(2)9(4)7(3)8-5/h3*1-5H3;5*1-4H3.
What are the key properties of tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene)?
tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene) has a molecular weight of 1064.73 g/mol, XLogP of 19.11, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2,3,4,5-pentamethylpyrrole);bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;bis(2,3,4,5-tetramethylthiophene) is sourced from PubChem (CID 158793589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).