tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate

C42H32Cr3N14O2 — CID 139119135

IUPACtris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate
SMILESN#C[O-].N#C[O-].[Cr+2].[Cr+2].[Cr+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHNO.3Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1-3;;;/h4*1-8H;2*3H;;;/q4*-1;;;3*+2/p-2
InChIKeyFXSBAHQLZVMAKJ-UHFFFAOYSA-L
MW920.80 g/mol
LogP8.90
Rot. Bonds8

About tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate

tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate (PubChem CID 139119135) has the molecular formula C42H32Cr3N14O2 and a molecular weight of 920.80 g/mol. Its IUPAC name is tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate.

Molecular Properties

Compound Nametris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate
PubChem CID139119135
Molecular FormulaC42H32Cr3N14O2
Molecular Weight920.80 g/mol
Exact Mass920.10
IUPAC Nametris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate
SMILESN#C[O-].N#C[O-].[Cr+2].[Cr+2].[Cr+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHNO.3Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1-3;;;/h4*1-8H;2*3H;;;/q4*-1;;;3*+2/p-2
InChIKeyFXSBAHQLZVMAKJ-UHFFFAOYSA-L
XLogP8.90
TPSA253.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.80
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate?
The IUPAC name of tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate (CID 139119135) is tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate.
What is the SMILES notation for tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate?
The canonical SMILES for tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate is N#C[O-].N#C[O-].[Cr+2].[Cr+2].[Cr+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate?
The InChIKey is FXSBAHQLZVMAKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H8N3.2CHNO.3Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1-3;;;/h4*1-8H;2*3H;;;/q4*-1;;;3*+2/p-2.
What are the key properties of tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate?
tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate has a molecular weight of 920.80 g/mol, XLogP of 8.90, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(chromium(2+));tetrakis(dipyridin-2-ylazanide);dicyanate is sourced from PubChem (CID 139119135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).