hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate

C65H54Al6F3N19O6+12 — CID 158207102

About hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate

hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate (PubChem CID 158207102) has the molecular formula C65H54Al6F3N19O6+12 and a molecular weight of 1416.16 g/mol. Its IUPAC name is hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate.

Molecular Properties

• Compound Name: hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
• PubChem CID: 158207102
• Molecular Formula: C65H54Al6F3N19O6+12
• Molecular Weight: 1416.16 g/mol
• Exact Mass: 1415.33
• IUPAC Name: hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
• SMILES: CCN(CC)c1ncn(-c2nccc3ccccc23)c1[O-].Cc1cc([O-])n(-c2ccccn2)n1.Cc1cc([O-])n(-c2ccccn2)n1.[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]c1c(-c2ccccc2)cnn1-c1ccccn1.[O-]c1cc(C(F)(F)F)nn1-c1ccccn1.[O-]c1cccn1-c1cnccn1
• InChI: InChI=1S/C16H18N4O.C14H11N3O.C9H6F3N3O.2C9H9N3O.C8H7N3O.6Al/c1-3-19(4-2)15-16(21)20(11-18-15)14-13-8-6-5-7-12(13)9-10-17-14;18-14-12(11-6-2-1-3-7-11)10-16-17(14)13-8-4-5-9-15-13;10-9(11,12)6-5-8(16)15(14-6)7-3-1-2-4-13-7;2*1-7-6-9(13)12(11-7)8-4-2-3-5-10-8;12-8-2-1-5-11(8)7-6-9-3-4-10-7;;;;;;/h5-11,21H,3-4H2,1-2H3;1-10,18H;1-5,16H;2*2-6,13H,1H3;1-6,12H;;;;;;/q;;;;;;6*+3/p-6
• InChIKey: GBPZNJDPDKRDAN-UHFFFAOYSA-H
• XLogP: 5.06
• TPSA: 325.86 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.16
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?

The IUPAC name of hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate (CID 158207102) is hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate.

What is the SMILES notation for hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?

The canonical SMILES for hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate is CCN(CC)c1ncn(-c2nccc3ccccc23)c1[O-].Cc1cc([O-])n(-c2ccccn2)n1.Cc1cc([O-])n(-c2ccccn2)n1.[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]c1c(-c2ccccc2)cnn1-c1ccccn1.[O-]c1cc(C(F)(F)F)nn1-c1ccccn1.[O-]c1cccn1-c1cnccn1.

What is the InChIKey of hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?

The InChIKey is GBPZNJDPDKRDAN-UHFFFAOYSA-H. The full InChI is InChI=1S/C16H18N4O.C14H11N3O.C9H6F3N3O.2C9H9N3O.C8H7N3O.6Al/c1-3-19(4-2)15-16(21)20(11-18-15)14-13-8-6-5-7-12(13)9-10-17-14;18-14-12(11-6-2-1-3-7-11)10-16-17(14)13-8-4-5-9-15-13;10-9(11,12)6-5-8(16)15(14-6)7-3-1-2-4-13-7;2*1-7-6-9(13)12(11-7)8-4-2-3-5-10-8;12-8-2-1-5-11(8)7-6-9-3-4-10-7;;;;;;/h5-11,21H,3-4H2,1-2H3;1-10,18H;1-5,16H;2*2-6,13H,1H3;1-6,12H;;;;;;/q;;;;;;6*+3/p-6.

What are the key properties of hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?

hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate has a molecular weight of 1416.16 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for hexaaluminum;5-(diethylamino)-3-isoquinolin-1-ylimidazol-4-olate;bis(5-methyl-2-pyridin-2-ylpyrazol-3-olate);4-phenyl-1-pyridin-2-ylpyrazol-5-olate;1-pyrazin-2-ylpyrrol-2-olate;1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate is sourced from PubChem (CID 158207102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).