tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline

C81H56EuN2O6 — CID 173066827

IUPACtris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
SMILESO=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.[Eu].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/3C23H16O2.C12H8N2.Eu/c3*24-22(20-13-5-9-16-7-1-3-11-18(16)20)15-23(25)21-14-6-10-17-8-2-4-12-19(17)21;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;/h3*1-14H,15H2;1-8H;
InChIKeyAGSVNJPRBSVWTK-UHFFFAOYSA-N
MW1305.31 g/mol
LogP19.13
Rot. Bonds12

About tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline

tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline (PubChem CID 173066827) has the molecular formula C81H56EuN2O6 and a molecular weight of 1305.31 g/mol. Its IUPAC name is tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline.

Molecular Properties

Compound Nametris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
PubChem CID173066827
Molecular FormulaC81H56EuN2O6
Molecular Weight1305.31 g/mol
Exact Mass1305.34
IUPAC Nametris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
SMILESO=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.[Eu].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/3C23H16O2.C12H8N2.Eu/c3*24-22(20-13-5-9-16-7-1-3-11-18(16)20)15-23(25)21-14-6-10-17-8-2-4-12-19(17)21;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;/h3*1-14H,15H2;1-8H;
InChIKeyAGSVNJPRBSVWTK-UHFFFAOYSA-N
XLogP19.13
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.31
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 114552683
methanol;1,7-phenanthroline
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CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
nitric acid;1,7-phenanthroline
CID 175111698
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
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CID 105112604
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089

Frequently Asked Questions

What is the IUPAC name of tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline?
The IUPAC name of tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline (CID 173066827) is tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline.
What is the SMILES notation for tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline?
The canonical SMILES for tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline is O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.O=C(CC(=O)c1cccc2ccccc12)c1cccc2ccccc12.[Eu].c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline?
The InChIKey is AGSVNJPRBSVWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H16O2.C12H8N2.Eu/c3*24-22(20-13-5-9-16-7-1-3-11-18(16)20)15-23(25)21-14-6-10-17-8-2-4-12-19(17)21;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;/h3*1-14H,15H2;1-8H;.
What are the key properties of tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline?
tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline has a molecular weight of 1305.31 g/mol, XLogP of 19.13, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline is sourced from PubChem (CID 173066827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).