bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)

C74H72Cu2Eu2N2O4 — CID 134902473

IUPACbis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[Cu+].[Cu+].[Eu+2].[Eu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/6C8H5.2C5H5N.4C4H8O.2Cu.2Eu/c6*1-2-8-6-4-3-5-7-8;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;;;;/h6*3-7H;2*1-5H;4*1-4H2;;;;/q6*-1;;;;;;;2*+1;2*+2
InChIKeyMIFGYCOBHBVYLC-UHFFFAOYSA-N
MW1484.42 g/mol
LogP15.09
Rot. Bonds

About bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)

bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine) (PubChem CID 134902473) has the molecular formula C74H72Cu2Eu2N2O4 and a molecular weight of 1484.42 g/mol. Its IUPAC name is bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine).

Molecular Properties

Compound Namebis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)
PubChem CID134902473
Molecular FormulaC74H72Cu2Eu2N2O4
Molecular Weight1484.42 g/mol
Exact Mass1484.25
IUPAC Namebis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[Cu+].[Cu+].[Eu+2].[Eu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/6C8H5.2C5H5N.4C4H8O.2Cu.2Eu/c6*1-2-8-6-4-3-5-7-8;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;;;;/h6*3-7H;2*1-5H;4*1-4H2;;;;/q6*-1;;;;;;;2*+1;2*+2
InChIKeyMIFGYCOBHBVYLC-UHFFFAOYSA-N
XLogP15.09
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001484.42
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)?
The IUPAC name of bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine) (CID 134902473) is bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine).
What is the SMILES notation for bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)?
The canonical SMILES for bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine) is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1.[Cu+].[Cu+].[Eu+2].[Eu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)?
The InChIKey is MIFGYCOBHBVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H5.2C5H5N.4C4H8O.2Cu.2Eu/c6*1-2-8-6-4-3-5-7-8;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;;;;/h6*3-7H;2*1-5H;4*1-4H2;;;;/q6*-1;;;;;;;2*+1;2*+2.
What are the key properties of bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine)?
bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine) has a molecular weight of 1484.42 g/mol, XLogP of 15.09, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));ethynylbenzene;bis(europium(2+));oxolane;bis(pyridine) is sourced from PubChem (CID 134902473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).