copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium

C40H80Cu6I3N8S4V-10 — CID 11968220

IUPACcopper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.[Cu+]I.[Cu+]I.[Cu].[Cu].[Cu].[Cu]I.[SH-].[SH-].[SH-].[SH-].[V]
InChIInChI=1S/7C5H10N.C5H6N.6Cu.3HI.4H2S.V/c8*1-2-4-6-5-3-1;;;;;;;;;;;;;;/h7*1-5H2;1-4H,5H2;;;;;;;3*1H;4*1H2;/q8*-1;;;;+1;2*+2;;;;;;;;/p-7
InChIKeyJOGQBKWMRCOKBA-UHFFFAOYSA-G
MW1614.34 g/mol
LogP13.81
Rot. Bonds

About copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium

copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium (PubChem CID 11968220) has the molecular formula C40H80Cu6I3N8S4V-10 and a molecular weight of 1614.34 g/mol. Its IUPAC name is copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium.

Molecular Properties

Compound Namecopper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium
PubChem CID11968220
Molecular FormulaC40H80Cu6I3N8S4V-10
Molecular Weight1614.34 g/mol
Exact Mass1609.78
IUPAC Namecopper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.[Cu+]I.[Cu+]I.[Cu].[Cu].[Cu].[Cu]I.[SH-].[SH-].[SH-].[SH-].[V]
InChIInChI=1S/7C5H10N.C5H6N.6Cu.3HI.4H2S.V/c8*1-2-4-6-5-3-1;;;;;;;;;;;;;;/h7*1-5H2;1-4H,5H2;;;;;;;3*1H;4*1H2;/q8*-1;;;;+1;2*+2;;;;;;;;/p-7
InChIKeyJOGQBKWMRCOKBA-UHFFFAOYSA-G
XLogP13.81
TPSA112.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.34
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 5231730
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CID 73163205
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CID 50921804
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CID 156681038
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CID 151025303
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CID 54611926
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CID 11105324
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CID 150983339
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CID 20687678
nickel(2+);1,4,8,11-tetrazanidacyclopentadecane
CID 50896977
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CID 5234611

Frequently Asked Questions

What is the IUPAC name of copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium?
The IUPAC name of copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium (CID 11968220) is copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium.
What is the SMILES notation for copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium?
The canonical SMILES for copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium is C1=CC[N-]C=C1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.[Cu+]I.[Cu+]I.[Cu].[Cu].[Cu].[Cu]I.[SH-].[SH-].[SH-].[SH-].[V].
What is the InChIKey of copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium?
The InChIKey is JOGQBKWMRCOKBA-UHFFFAOYSA-G. The full InChI is InChI=1S/7C5H10N.C5H6N.6Cu.3HI.4H2S.V/c8*1-2-4-6-5-3-1;;;;;;;;;;;;;;/h7*1-5H2;1-4H,5H2;;;;;;;3*1H;4*1H2;/q8*-1;;;;+1;2*+2;;;;;;;;/p-7.
What are the key properties of copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium?
copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium has a molecular weight of 1614.34 g/mol, XLogP of 13.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;iodocopper;bis(iodocopper(1+));heptakis(piperidin-1-ide);2H-pyridin-1-ide;sulfanide;vanadium is sourced from PubChem (CID 11968220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).