tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline

C36H29Br3EuN2O3+3 — CID 158087552

IUPACtris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline
SMILESCC(=O)c1ccc(Br)cc1.CC(=O)c1ccc(Br)cc1.CC(=O)c1ccc(Br)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C8H7BrO.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-6(10)7-2-4-8(9)5-3-7;/h1-8H;3*2-5H,1H3;/q;;;;+3
InChIKeyFNRSJWVMLXEEIT-UHFFFAOYSA-N
MW929.31 g/mol
LogP10.74
Rot. Bonds3

About tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline

tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline (PubChem CID 158087552) has the molecular formula C36H29Br3EuN2O3+3 and a molecular weight of 929.31 g/mol. Its IUPAC name is tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline.

Molecular Properties

Compound Nametris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline
PubChem CID158087552
Molecular FormulaC36H29Br3EuN2O3+3
Molecular Weight929.31 g/mol
Exact Mass926.89
IUPAC Nametris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline
SMILESCC(=O)c1ccc(Br)cc1.CC(=O)c1ccc(Br)cc1.CC(=O)c1ccc(Br)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C8H7BrO.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-6(10)7-2-4-8(9)5-3-7;/h1-8H;3*2-5H,1H3;/q;;;;+3
InChIKeyFNRSJWVMLXEEIT-UHFFFAOYSA-N
XLogP10.74
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.31
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 4175928
4-bromo-N-quinolin-8-ylbenzamide
CID 831395
N-[3-(8-aminoquinolin-4-yl)phenyl]-4-bromo-3-methylbenzamide
CID 76309876
(E)-1-(4-bromophenyl)-3-quinoxalin-6-ylprop-2-en-1-one
CID 57327931
1-(2-(1,1'-Biphenyl)-4-YL-2-oxoethyl)(1,10)phenanthrolin-1-ium bromide
CID 45051066
(E)-1-(4-Bromophenyl)-3-(quinoxalin-2-yl)prop-2-en-1-one
CID 9026836
(E)-1-(3-Bromophenyl)-3-(quinoxalin-2-yl)prop-2-en-1-one
CID 9026900
N-[3-(8-acetamidoquinolin-4-yl)phenyl]-4-bromo-3-methylbenzamide
CID 76317095
(E)-3-quinoxalin-6-yl-1-[4-[(E)-3-quinoxalin-6-ylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 90671753
Bis[4-(quinolin-1-ium-1-ylmethyl)phenyl]methanone dibromide
CID 118735669
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-oxobut-2-en-2-olate)
CID 168339180
1-(1,10-Phenanthrolin-2-yl)ethanone
CID 11521417

Frequently Asked Questions

What is the IUPAC name of tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline?
The IUPAC name of tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline (CID 158087552) is tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline.
What is the SMILES notation for tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline?
The canonical SMILES for tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline is CC(=O)c1ccc(Br)cc1.CC(=O)c1ccc(Br)cc1.CC(=O)c1ccc(Br)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline?
The InChIKey is FNRSJWVMLXEEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.3C8H7BrO.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-6(10)7-2-4-8(9)5-3-7;/h1-8H;3*2-5H,1H3;/q;;;;+3.
What are the key properties of tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline?
tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline has a molecular weight of 929.31 g/mol, XLogP of 10.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(4-bromophenyl)ethanone);europium(3+);1,10-phenanthroline is sourced from PubChem (CID 158087552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).