(Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline

C27H22EuN2O2 — CID 58649421

IUPAC(Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline
SMILESO/C(=C\C(O)c1ccccc1)c1ccccc1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H14O2.C12H8N2.Eu/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11,14,16-17H;1-8H;/b15-11-;;
InChIKeyWRJMWEHQFPUVQU-VGUYJMDASA-N
MW558.45 g/mol
LogP6.10
Rot. Bonds3

About (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline

(Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline (PubChem CID 58649421) has the molecular formula C27H22EuN2O2 and a molecular weight of 558.45 g/mol. Its IUPAC name is (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline.

Molecular Properties

Compound Name(Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline
PubChem CID58649421
Molecular FormulaC27H22EuN2O2
Molecular Weight558.45 g/mol
Exact Mass559.09
IUPAC Name(Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline
SMILESO/C(=C\C(O)c1ccccc1)c1ccccc1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H14O2.C12H8N2.Eu/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11,14,16-17H;1-8H;/b15-11-;;
InChIKeyWRJMWEHQFPUVQU-VGUYJMDASA-N
XLogP6.10
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.45
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 10177755
1,1-Bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
CID 10298197
(R)-phenyl-[1-[1-(quinolin-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanol
CID 31016608
phenyl{1-[1-(3-quinolinylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanol
CID 45208965
Phenanthroline-ethanol
CID 132427344
4,7-Diphenyl-1,10-phenanthroline-ethanol
CID 151358085
2-Hydroxymethyl-1H-pyrrolo(3,2-h)quinoline
CID 154604
1,1-Bis(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol
CID 15541846
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606763
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606778
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606786
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606787

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline?
The IUPAC name of (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline (CID 58649421) is (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline.
What is the SMILES notation for (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline?
The canonical SMILES for (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline is O/C(=C\C(O)c1ccccc1)c1ccccc1.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline?
The InChIKey is WRJMWEHQFPUVQU-VGUYJMDASA-N. The full InChI is InChI=1S/C15H14O2.C12H8N2.Eu/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11,14,16-17H;1-8H;/b15-11-;;.
What are the key properties of (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline?
(Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline has a molecular weight of 558.45 g/mol, XLogP of 6.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diphenylprop-1-ene-1,3-diol;europium;1,10-phenanthroline is sourced from PubChem (CID 58649421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).