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

C78H123N7O3S3 — CID 159600083

IUPACtris(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
SMILESCc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.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.C6H9NO.C6H9NS/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;2*1-4-5(2)8-6(3)7-4/h3*1-5H3;5*1-4H3;2*1-3H3
InChIKeyMLJCPFMCIVTDAY-UHFFFAOYSA-N
MW1303.09 g/mol
LogP22.78
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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole

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 (PubChem CID 159600083) has the molecular formula C78H123N7O3S3 and a molecular weight of 1303.09 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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.

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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
PubChem CID159600083
Molecular FormulaC78H123N7O3S3
Molecular Weight1303.09 g/mol
Exact Mass1301.88
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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
SMILESCc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.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.C6H9NO.C6H9NS/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;2*1-4-5(2)8-6(3)7-4/h3*1-5H3;5*1-4H3;2*1-3H3
InChIKeyMLJCPFMCIVTDAY-UHFFFAOYSA-N
XLogP22.78
TPSA97.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.09
LogP ≤ 522.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole with MolForge

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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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole (CID 159600083) 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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole.
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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is MLJCPFMCIVTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15N.2C8H12O.2C8H12S.C7H12N2.C6H9NO.C6H9NS/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;2*1-4-5(2)8-6(3)7-4/h3*1-5H3;5*1-4H3;2*1-3H3.
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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole?
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 has a molecular weight of 1303.09 g/mol, XLogP of 22.78, 0 rotatable bonds, 0 hydrogen bond donors, and 13 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);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159600083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).