tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)

C69H117N15 — CID 159056156

IUPACtris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)
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.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C
InChIInChI=1S/3C9H15N.6C7H12N2/c3*1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8-9(4)7(5)3/h3*1-5H3;6*1-4H3
InChIKeyJXWOZQCQHZXQDK-UHFFFAOYSA-N
MW1156.80 g/mol
LogP14.85
Rot. Bonds

About tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)

tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole) (PubChem CID 159056156) has the molecular formula C69H117N15 and a molecular weight of 1156.80 g/mol. Its IUPAC name is tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole).

Molecular Properties

Compound Nametris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)
PubChem CID159056156
Molecular FormulaC69H117N15
Molecular Weight1156.80 g/mol
Exact Mass1155.96
IUPAC Nametris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)
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.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C
InChIInChI=1S/3C9H15N.6C7H12N2/c3*1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8-9(4)7(5)3/h3*1-5H3;6*1-4H3
InChIKeyJXWOZQCQHZXQDK-UHFFFAOYSA-N
XLogP14.85
TPSA121.71 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001156.80
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

1,2,3,4,5-pentamethylpyrrole;bis(2,3,4,5-tetramethylfuran);1,2,4,5-tetramethylimidazole;tris(1,3,4,5-tetramethylpyrazole);2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole
CID 159270733
1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole
CID 159531703
2-(deuteriomethyl)-1,4,5-trimethylimidazole
CID 59970458
1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole
CID 160751082
1-methylpiperidine;1,2,4,5-tetramethylimidazole
CID 142002104
1,2,3,4,5-pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 159819378
tris(1,3,4,5-tetramethylpyrazole);1,3,4,5-tetramethyltriazol-1-ium
CID 160524229
ethane;1,2,3,4,5-pentamethylpyrrole
CID 91518020
1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one
CID 159572703
1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 161232679
bis(1,5-dimethyltetrazole);3,4-dimethyl-1,2,5-thiadiazole;1,3,4,5-tetramethylpyrazole;tris(1,3,5-trimethyl-1,2,4-triazole);1,4,5-trimethyltriazole;bis(3,4,5-trimethyl-1,2,4-triazole)
CID 157286403
1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
CID 82595274

Frequently Asked Questions

What is the IUPAC name of tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)?
The IUPAC name of tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole) (CID 159056156) is tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole).
What is the SMILES notation for tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)?
The canonical SMILES for tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole) 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.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.
What is the InChIKey of tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)?
The InChIKey is JXWOZQCQHZXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15N.6C7H12N2/c3*1-6-7(2)9(4)10(5)8(6)3;4*1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8-9(4)7(5)3/h3*1-5H3;6*1-4H3.
What are the key properties of tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)?
tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole) has a molecular weight of 1156.80 g/mol, XLogP of 14.85, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole) is sourced from PubChem (CID 159056156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).