tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)

C45H30Au3I3N6 — CID 139198412

IUPACtris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)
SMILESIc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C15H10IN2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;;;/h3*1-10H;;;/q3*-1;3*+1
InChIKeyATOWTTJQWXEVLE-UHFFFAOYSA-N
MW1626.39 g/mol
LogP11.92
Rot. Bonds6

About tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)

tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide) (PubChem CID 139198412) has the molecular formula C45H30Au3I3N6 and a molecular weight of 1626.39 g/mol. Its IUPAC name is tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide).

Molecular Properties

Compound Nametris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)
PubChem CID139198412
Molecular FormulaC45H30Au3I3N6
Molecular Weight1626.39 g/mol
Exact Mass1625.87
IUPAC Nametris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)
SMILESIc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C15H10IN2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;;;/h3*1-10H;;;/q3*-1;3*+1
InChIKeyATOWTTJQWXEVLE-UHFFFAOYSA-N
XLogP11.92
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001626.39
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide) 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

[3-(CF3),5-(Ph)PzCu]3
CID 139118754
Tris(3,5-bis[3,5-bis(trifluoromethyl)phenyl]pyrazol-1-ide);tris(gold(1+))
CID 168349906
tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
Tris(3,5-diphenylpyrazol-1-yl)borane
CID 91278876
Hydrotris(3,5-diphenyl-1-pyrazolyl)borate
CID 123900971
Tris(3-benzyl-5-methylpyrazol-1-yl)borane
CID 91116062
Tris(3-benzyl-4-phenylpyrazol-1-yl)borane
CID 91142144
CID 139090023
CID 139090023
Thallium(1+);tris(4,5,6,7-tetrafluoro-3-phenylindazol-1-yl)boranuide
CID 139137018
Tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
CID 139146362
Boranuide;iron(2+);tris(3,5-diphenylpyrazol-1-yl)boranuide
CID 139152181
Trisilver;tris(4-chloro-3,5-diphenylpyrazol-1-ide);bis(dichloromethane)
CID 139164974

Frequently Asked Questions

What is the IUPAC name of tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)?
The IUPAC name of tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide) (CID 139198412) is tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide).
What is the SMILES notation for tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)?
The canonical SMILES for tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide) is Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.Ic1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+].
What is the InChIKey of tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)?
The InChIKey is ATOWTTJQWXEVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H10IN2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;;;/h3*1-10H;;;/q3*-1;3*+1.
What are the key properties of tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)?
tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide) has a molecular weight of 1626.39 g/mol, XLogP of 11.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 139198412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).