cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)

C92H108CsEuO8 — CID 139173724

IUPACcesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)
SMILESCCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.[Cs+].[Eu+3]
InChIInChI=1S/4C23H28O2.Cs.Eu/c4*1-3-5-7-18-9-13-20(14-10-18)22(24)17-23(25)21-15-11-19(12-16-21)8-6-4-2;;/h4*9-17,24H,3-8H2,1-2H3;;/q;;;;+1;+3/p-4/b4*22-17-;;
InChIKeyVDIAEYQSKJVLEX-NEAGVNCQSA-J
MW1626.74 g/mol
LogP16.83
Rot. Bonds36

About cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)

cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+) (PubChem CID 139173724) has the molecular formula C92H108CsEuO8 and a molecular weight of 1626.74 g/mol. Its IUPAC name is cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+).

Molecular Properties

Compound Namecesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)
PubChem CID139173724
Molecular FormulaC92H108CsEuO8
Molecular Weight1626.74 g/mol
Exact Mass1626.63
IUPAC Namecesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)
SMILESCCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.[Cs+].[Eu+3]
InChIInChI=1S/4C23H28O2.Cs.Eu/c4*1-3-5-7-18-9-13-20(14-10-18)22(24)17-23(25)21-15-11-19(12-16-21)8-6-4-2;;/h4*9-17,24H,3-8H2,1-2H3;;/q;;;;+1;+3/p-4/b4*22-17-;;
InChIKeyVDIAEYQSKJVLEX-NEAGVNCQSA-J
XLogP16.83
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001626.74
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)?
The IUPAC name of cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+) (CID 139173724) is cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+).
What is the SMILES notation for cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)?
The canonical SMILES for cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+) is CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.CCCCc1ccc(C(=O)/C=C(\[O-])c2ccc(CCCC)cc2)cc1.[Cs+].[Eu+3].
What is the InChIKey of cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)?
The InChIKey is VDIAEYQSKJVLEX-NEAGVNCQSA-J. The full InChI is InChI=1S/4C23H28O2.Cs.Eu/c4*1-3-5-7-18-9-13-20(14-10-18)22(24)17-23(25)21-15-11-19(12-16-21)8-6-4-2;;/h4*9-17,24H,3-8H2,1-2H3;;/q;;;;+1;+3/p-4/b4*22-17-;;.
What are the key properties of cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+)?
cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+) has a molecular weight of 1626.74 g/mol, XLogP of 16.83, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;tetrakis((Z)-1,3-bis(4-butylphenyl)-3-oxoprop-1-en-1-olate);europium(3+) is sourced from PubChem (CID 139173724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).