bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene

C18H10Cu2 — CID 134885175

IUPACbis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene
SMILES[C-]#Cc1ccccc1/C=C/c1ccccc1C#[C-].[Cu+].[Cu+]
InChIInChI=1S/C18H10.2Cu/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2;;/h5-14H;;/q-2;2*+1/b14-13+;;
InChIKeyBJCCGTZVDXTQKD-QDBORUFSSA-N
MW353.37 g/mol
LogP3.73
Rot. Bonds2

About bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene

bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene (PubChem CID 134885175) has the molecular formula C18H10Cu2 and a molecular weight of 353.37 g/mol. Its IUPAC name is bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene.

Molecular Properties

Compound Namebis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene
PubChem CID134885175
Molecular FormulaC18H10Cu2
Molecular Weight353.37 g/mol
Exact Mass351.94
IUPAC Namebis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene
SMILES[C-]#Cc1ccccc1/C=C/c1ccccc1C#[C-].[Cu+].[Cu+]
InChIInChI=1S/C18H10.2Cu/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2;;/h5-14H;;/q-2;2*+1/b14-13+;;
InChIKeyBJCCGTZVDXTQKD-QDBORUFSSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene?
The IUPAC name of bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene (CID 134885175) is bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene.
What is the SMILES notation for bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene?
The canonical SMILES for bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene is [C-]#Cc1ccccc1/C=C/c1ccccc1C#[C-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene?
The InChIKey is BJCCGTZVDXTQKD-QDBORUFSSA-N. The full InChI is InChI=1S/C18H10.2Cu/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2;;/h5-14H;;/q-2;2*+1/b14-13+;;.
What are the key properties of bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene?
bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene has a molecular weight of 353.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));1-ethynyl-2-[(E)-2-(2-ethynylphenyl)ethenyl]benzene is sourced from PubChem (CID 134885175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).