tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane

C34H35Au3N6O — CID 139136608

IUPACtris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane
SMILESC1CCOC1.Cc1cc(-c2ccccc2)[n-]n1.Cc1cc(-c2ccccc2)[n-]n1.Cc1cc(-c2ccccc2)n[n-]1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C10H9N2.C4H8O.3Au/c3*1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2-4-5-3-1;;;/h3*2-7H,1H3;1-4H2;;;/q3*-1;;3*+1
InChIKeyIJHLRUANDGHTSD-UHFFFAOYSA-N
MW1134.60 g/mol
LogP6.83
Rot. Bonds3

About tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane

tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane (PubChem CID 139136608) has the molecular formula C34H35Au3N6O and a molecular weight of 1134.60 g/mol. Its IUPAC name is tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane.

Molecular Properties

Compound Nametris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane
PubChem CID139136608
Molecular FormulaC34H35Au3N6O
Molecular Weight1134.60 g/mol
Exact Mass1134.19
IUPAC Nametris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane
SMILESC1CCOC1.Cc1cc(-c2ccccc2)[n-]n1.Cc1cc(-c2ccccc2)[n-]n1.Cc1cc(-c2ccccc2)n[n-]1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C10H9N2.C4H8O.3Au/c3*1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2-4-5-3-1;;;/h3*2-7H,1H3;1-4H2;;;/q3*-1;;3*+1
InChIKeyIJHLRUANDGHTSD-UHFFFAOYSA-N
XLogP6.83
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.60
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one
CID 139152141
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
oxolane;3-phenyl-1,2-oxazole
CID 174347006
oxane;oxolane;toluene
CID 70182101
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
CID 158549694
3,5-dimethylpyrazol-1-ide;tris(pyrrolidin-1-ide);titanium(4+)
CID 169023753
3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide
CID 140648696
2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
CID 58858981
dimethylazanide;oxolane;bis(1,2,3,4,5-pentamethylcyclopentane);tetraphenylboranuide;uranium
CID 23230264

Frequently Asked Questions

What is the IUPAC name of tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane?
The IUPAC name of tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane (CID 139136608) is tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane.
What is the SMILES notation for tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane?
The canonical SMILES for tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane is C1CCOC1.Cc1cc(-c2ccccc2)[n-]n1.Cc1cc(-c2ccccc2)[n-]n1.Cc1cc(-c2ccccc2)n[n-]1.[Au+].[Au+].[Au+].
What is the InChIKey of tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane?
The InChIKey is IJHLRUANDGHTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H9N2.C4H8O.3Au/c3*1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2-4-5-3-1;;;/h3*2-7H,1H3;1-4H2;;;/q3*-1;;3*+1.
What are the key properties of tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane?
tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane has a molecular weight of 1134.60 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane is sourced from PubChem (CID 139136608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).