tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium

C57H44N2O6Tb — CID 161336621

IUPACtris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
SMILESO=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.[Tb].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H12O2.C12H8N2.Tb/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*1-10H,11H2;1-8H;
InChIKeyVMCPPJFCJGJFPS-UHFFFAOYSA-N
MW1011.91 g/mol
LogP12.21
Rot. Bonds12

About tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium

tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium (PubChem CID 161336621) has the molecular formula C57H44N2O6Tb and a molecular weight of 1011.91 g/mol. Its IUPAC name is tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium.

Molecular Properties

Compound Nametris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
PubChem CID161336621
Molecular FormulaC57H44N2O6Tb
Molecular Weight1011.91 g/mol
Exact Mass1011.25
IUPAC Nametris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
SMILESO=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.[Tb].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H12O2.C12H8N2.Tb/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*1-10H,11H2;1-8H;
InChIKeyVMCPPJFCJGJFPS-UHFFFAOYSA-N
XLogP12.21
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.91
LogP ≤ 512.21
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 139083398
europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
CID 131675766
iridium(3+);1,10-phenanthroline
CID 175702049
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CID 14251798
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CID 70430219
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium?
The IUPAC name of tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium (CID 161336621) is tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium.
What is the SMILES notation for tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium?
The canonical SMILES for tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium is O=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.O=C(CC(=O)c1ccccc1)c1ccccc1.[Tb].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium?
The InChIKey is VMCPPJFCJGJFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H12O2.C12H8N2.Tb/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*1-10H,11H2;1-8H;.
What are the key properties of tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium?
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium has a molecular weight of 1011.91 g/mol, XLogP of 12.21, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium is sourced from PubChem (CID 161336621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).