hexakis(dipyridin-2-ylazanide);bis(neodymium(3+))

C60H48N18Nd2 — CID 139126165

IUPAChexakis(dipyridin-2-ylazanide);bis(neodymium(3+))
SMILES[Nd+3].[Nd+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/6C10H8N3.2Nd/c6*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h6*1-8H;;/q6*-1;2*+3
InChIKeyPJGWENCAHZWHRR-UHFFFAOYSA-N
MW1309.65 g/mol
LogP16.88
Rot. Bonds12

About hexakis(dipyridin-2-ylazanide);bis(neodymium(3+))

hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)) (PubChem CID 139126165) has the molecular formula C60H48N18Nd2 and a molecular weight of 1309.65 g/mol. Its IUPAC name is hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)).

Molecular Properties

Compound Namehexakis(dipyridin-2-ylazanide);bis(neodymium(3+))
PubChem CID139126165
Molecular FormulaC60H48N18Nd2
Molecular Weight1309.65 g/mol
Exact Mass1304.25
IUPAC Namehexakis(dipyridin-2-ylazanide);bis(neodymium(3+))
SMILES[Nd+3].[Nd+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/6C10H8N3.2Nd/c6*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h6*1-8H;;/q6*-1;2*+3
InChIKeyPJGWENCAHZWHRR-UHFFFAOYSA-N
XLogP16.88
TPSA239.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.65
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)
CID 139141033
Tetrapyridylethylenediamine
CID 10021950
N2,N2,N4,N4,N6,N6-Hexa(pyridin-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 59203920
2-N,2-N,6-N,6-N-tetrapyridin-2-ylpyridine-2,6-diamine
CID 101177533
Stannanediamine,1-diethyl-N,N,N',N'-tetra-2-pyridinyl-
CID 9569394
1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide
CID 91314711
2-N,2-N,4-N,4-N-tetrapyridin-2-yl-6-[4,8,11-tris[4,6-bis(dipyridin-2-ylamino)-1,3,5-triazin-2-yl]-1,4,8,11-tetrazacyclotetradec-1-yl]-1,3,5-triazine-2,4-diamine
CID 101749745
H2mpeptea
CID 102150046
ZINC bispyridylamide
CID 129858798
Bis(dipyridylamide) germanium
CID 129880949
Bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)
CID 139063505
Cerium-tris-(dipyridylamide)
CID 139126164

Frequently Asked Questions

What is the IUPAC name of hexakis(dipyridin-2-ylazanide);bis(neodymium(3+))?
The IUPAC name of hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)) (CID 139126165) is hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)).
What is the SMILES notation for hexakis(dipyridin-2-ylazanide);bis(neodymium(3+))?
The canonical SMILES for hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)) is [Nd+3].[Nd+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of hexakis(dipyridin-2-ylazanide);bis(neodymium(3+))?
The InChIKey is PJGWENCAHZWHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H8N3.2Nd/c6*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h6*1-8H;;/q6*-1;2*+3.
What are the key properties of hexakis(dipyridin-2-ylazanide);bis(neodymium(3+))?
hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)) has a molecular weight of 1309.65 g/mol, XLogP of 16.88, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(dipyridin-2-ylazanide);bis(neodymium(3+)) is sourced from PubChem (CID 139126165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).