1,10-phenanthroline;samarium

C12H8N2Sm — CID 174616745

IUPAC1,10-phenanthroline;samarium
SMILES[Sm].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.Sm/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;
InChIKeyITALBSPBAXQZBP-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.78
Rot. Bonds

About 1,10-phenanthroline;samarium

1,10-phenanthroline;samarium (PubChem CID 174616745) has the molecular formula C12H8N2Sm and a molecular weight of 330.57 g/mol. Its IUPAC name is 1,10-phenanthroline;samarium.

Molecular Properties

Compound Name1,10-phenanthroline;samarium
PubChem CID174616745
Molecular FormulaC12H8N2Sm
Molecular Weight330.57 g/mol
Exact Mass331.99
IUPAC Name1,10-phenanthroline;samarium
SMILES[Sm].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.Sm/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;
InChIKeyITALBSPBAXQZBP-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
CID 139068271

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline;samarium?
The IUPAC name of 1,10-phenanthroline;samarium (CID 174616745) is 1,10-phenanthroline;samarium.
What is the SMILES notation for 1,10-phenanthroline;samarium?
The canonical SMILES for 1,10-phenanthroline;samarium is [Sm].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 1,10-phenanthroline;samarium?
The InChIKey is ITALBSPBAXQZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.Sm/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;.
What are the key properties of 1,10-phenanthroline;samarium?
1,10-phenanthroline;samarium has a molecular weight of 330.57 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline;samarium is sourced from PubChem (CID 174616745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).