copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide

C33H52Cu4N5S6W2-8 — CID 73163205

IUPACcopper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+].[Cu+].[Cu+].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[W].[W]
InChIInChI=1S/2C10H15.C5H10N.C5H6N.3CN.4Cu.6H2S.2W/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-6-5-3-1;3*1-2;;;;;;;;;;;;/h2*1-5H3;1-5H2;1-4H,5H2;;;;;;;;6*1H2;;/q7*-1;3*+1;+2;;;;;;;;/p-6
InChIKeyAWMZPLWJDFXNHN-UHFFFAOYSA-H
MW1333.08 g/mol
LogP7.54
Rot. Bonds

About copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide

copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide (PubChem CID 73163205) has the molecular formula C33H52Cu4N5S6W2-8 and a molecular weight of 1333.08 g/mol. Its IUPAC name is copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide.

Molecular Properties

Compound Namecopper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide
PubChem CID73163205
Molecular FormulaC33H52Cu4N5S6W2-8
Molecular Weight1333.08 g/mol
Exact Mass1329.88
IUPAC Namecopper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+].[Cu+].[Cu+].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[W].[W]
InChIInChI=1S/2C10H15.C5H10N.C5H6N.3CN.4Cu.6H2S.2W/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-6-5-3-1;3*1-2;;;;;;;;;;;;/h2*1-5H3;1-5H2;1-4H,5H2;;;;;;;;6*1H2;;/q7*-1;3*+1;+2;;;;;;;;/p-6
InChIKeyAWMZPLWJDFXNHN-UHFFFAOYSA-H
XLogP7.54
TPSA99.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.08
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide?
The IUPAC name of copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide (CID 73163205) is copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide.
What is the SMILES notation for copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide?
The canonical SMILES for copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide is C1=CC[N-]C=C1.C1CC[N-]CC1.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[C-]#N.[C-]#N.[C-]#N.[Cu+2].[Cu+].[Cu+].[Cu+].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[W].[W].
What is the InChIKey of copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide?
The InChIKey is AWMZPLWJDFXNHN-UHFFFAOYSA-H. The full InChI is InChI=1S/2C10H15.C5H10N.C5H6N.3CN.4Cu.6H2S.2W/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-6-5-3-1;3*1-2;;;;;;;;;;;;/h2*1-5H3;1-5H2;1-4H,5H2;;;;;;;;6*1H2;;/q7*-1;3*+1;+2;;;;;;;;/p-6.
What are the key properties of copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide?
copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide has a molecular weight of 1333.08 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tris(copper(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);piperidin-1-ide;2H-pyridin-1-ide;sulfanide;tungsten;tricyanide is sourced from PubChem (CID 73163205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).