tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))

C40H32N12W2 — CID 139127429

IUPACtetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))
SMILES[W+2].[W+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h4*1-8H;;/q4*-1;2*+2
InChIKeyZNMBWOMMDNGLLZ-UHFFFAOYSA-N
MW1048.46 g/mol
LogP11.25
Rot. Bonds8

About tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))

tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)) (PubChem CID 139127429) has the molecular formula C40H32N12W2 and a molecular weight of 1048.46 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)).

Molecular Properties

Compound Nametetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))
PubChem CID139127429
Molecular FormulaC40H32N12W2
Molecular Weight1048.46 g/mol
Exact Mass1048.19
IUPAC Nametetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))
SMILES[W+2].[W+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h4*1-8H;;/q4*-1;2*+2
InChIKeyZNMBWOMMDNGLLZ-UHFFFAOYSA-N
XLogP11.25
TPSA159.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.46
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))?
The IUPAC name of tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)) (CID 139127429) is tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)).
What is the SMILES notation for tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))?
The canonical SMILES for tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)) is [W+2].[W+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))?
The InChIKey is ZNMBWOMMDNGLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N3.2W/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h4*1-8H;;/q4*-1;2*+2.
What are the key properties of tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))?
tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)) has a molecular weight of 1048.46 g/mol, XLogP of 11.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+)) is sourced from PubChem (CID 139127429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).