methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)

C41H32N9NdO5 — CID 139160384

IUPACmethanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)
SMILESCO.CO.[Nd+3].[O-]c1ccnc2ccc(-c3ccccn3)nc12.[O-]c1ccnc2ccc(-c3ccccn3)nc12.[O-]c1ccnc2ccc(-c3ccccn3)nc12
InChIInChI=1S/3C13H9N3O.2CH4O.Nd/c3*17-12-6-8-15-11-5-4-10(16-13(11)12)9-3-1-2-7-14-9;2*1-2;/h3*1-8H,(H,15,17);2*2H,1H3;/q;;;;;+3/p-3
InChIKeyXRYGYBHICRBBQW-UHFFFAOYSA-K
MW875.01 g/mol
LogP4.51
Rot. Bonds3

About methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)

methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate) (PubChem CID 139160384) has the molecular formula C41H32N9NdO5 and a molecular weight of 875.01 g/mol. Its IUPAC name is methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate).

Molecular Properties

Compound Namemethanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)
PubChem CID139160384
Molecular FormulaC41H32N9NdO5
Molecular Weight875.01 g/mol
Exact Mass872.16
IUPAC Namemethanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)
SMILESCO.CO.[Nd+3].[O-]c1ccnc2ccc(-c3ccccn3)nc12.[O-]c1ccnc2ccc(-c3ccccn3)nc12.[O-]c1ccnc2ccc(-c3ccccn3)nc12
InChIInChI=1S/3C13H9N3O.2CH4O.Nd/c3*17-12-6-8-15-11-5-4-10(16-13(11)12)9-3-1-2-7-14-9;2*1-2;/h3*1-8H,(H,15,17);2*2H,1H3;/q;;;;;+3/p-3
InChIKeyXRYGYBHICRBBQW-UHFFFAOYSA-K
XLogP4.51
TPSA225.65 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.01
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
CID 139045140
Hexasilver;hexakis(6-pyridin-2-ylpyridin-2-olate);octadecahydrate
CID 139129372
Cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
CID 139197567
Tris(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);bis(iron(4+));hydroxide;triperchlorate
CID 168348742
Tris(1,5-naphthyridin-4-yloxy)alumane
CID 162303828

Frequently Asked Questions

What is the IUPAC name of methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)?
The IUPAC name of methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate) (CID 139160384) is methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate).
What is the SMILES notation for methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)?
The canonical SMILES for methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate) is CO.CO.[Nd+3].[O-]c1ccnc2ccc(-c3ccccn3)nc12.[O-]c1ccnc2ccc(-c3ccccn3)nc12.[O-]c1ccnc2ccc(-c3ccccn3)nc12.
What is the InChIKey of methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)?
The InChIKey is XRYGYBHICRBBQW-UHFFFAOYSA-K. The full InChI is InChI=1S/3C13H9N3O.2CH4O.Nd/c3*17-12-6-8-15-11-5-4-10(16-13(11)12)9-3-1-2-7-14-9;2*1-2;/h3*1-8H,(H,15,17);2*2H,1H3;/q;;;;;+3/p-3.
What are the key properties of methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)?
methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate) has a molecular weight of 875.01 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate) is sourced from PubChem (CID 139160384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).