DYKOLWWJTALFFU-RWBKAWJDSA-N

Name: DYKOLWWJTALFFU-RWBKAWJDSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅₇H₄₄EuN₂O₆ — CID 156619803

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACeuropium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline

SMILESO=C(/C=C(/O)c1ccccc1)c1ccccc1.O=C(/C=C(/O)c1ccccc1)c1ccccc1.O=C(/C=C(/O)c1ccccc1)c1ccccc1.[Eu].c1cnc2c(c1)ccc1cccnc12

InChIInChI=1S/3C15H12O2.C12H8N2.Eu/c3*16-14(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;/h3*1-11,16H;1-8H;/b3*14-11+;;

InChIKeyDYKOLWWJTALFFU-RWBKAWJDSA-N

MW1004.95 g/mol

LogP13.19

Rot. Bonds9

About DYKOLWWJTALFFU-RWBKAWJDSA-N

DYKOLWWJTALFFU-RWBKAWJDSA-N (PubChem CID 156619803) has the molecular formula C₅₇H₄₄EuN₂O₆ and a molecular weight of 1004.95 g/mol. Its IUPAC name is europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline.

Molecular Properties

Compound Name	DYKOLWWJTALFFU-RWBKAWJDSA-N
PubChem CID	156619803
Molecular Formula	C₅₇H₄₄EuN₂O₆
Molecular Weight	1004.95 g/mol
Exact Mass	1005.24
IUPAC Name	europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline
SMILES	O=C(/C=C(/O)c1ccccc1)c1ccccc1.O=C(/C=C(/O)c1ccccc1)c1ccccc1.O=C(/C=C(/O)c1ccccc1)c1ccccc1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChI	InChI=1S/3C15H12O2.C12H8N2.Eu/c316-14(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;/h31-11,16H;1-8H;/b3*14-11+;;
InChIKey	DYKOLWWJTALFFU-RWBKAWJDSA-N
XLogP	13.19
TPSA	137.68 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	66
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.95
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of DYKOLWWJTALFFU-RWBKAWJDSA-N?

The IUPAC name of DYKOLWWJTALFFU-RWBKAWJDSA-N (CID 156619803) is europium;tris((E)-3-hydroxy-1,3-diphenylprop-2-en-1-one);1,10-phenanthroline.

What is the SMILES notation for DYKOLWWJTALFFU-RWBKAWJDSA-N?

The canonical SMILES for DYKOLWWJTALFFU-RWBKAWJDSA-N is O=C(/C=C(/O)c1ccccc1)c1ccccc1.O=C(/C=C(/O)c1ccccc1)c1ccccc1.O=C(/C=C(/O)c1ccccc1)c1ccccc1.[Eu].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of DYKOLWWJTALFFU-RWBKAWJDSA-N?

The InChIKey is DYKOLWWJTALFFU-RWBKAWJDSA-N. The full InChI is InChI=1S/3C15H12O2.C12H8N2.Eu/c3*16-14(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;/h3*1-11,16H;1-8H;/b3*14-11+;;.

What are the key properties of DYKOLWWJTALFFU-RWBKAWJDSA-N?

DYKOLWWJTALFFU-RWBKAWJDSA-N has a molecular weight of 1004.95 g/mol, XLogP of 13.19, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for DYKOLWWJTALFFU-RWBKAWJDSA-N is sourced from PubChem (CID 156619803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156619803 — identifiers, structure, computed properties (public domain)

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