molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)

C20H28Mo8N8O26-48 — CID 139200304

IUPACmolybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)
SMILESNc1cc[nH+]cc1.Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/4C5H6N2.8Mo.26O/c4*6-5-1-3-7-4-2-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-4H,(H2,6,7);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;26*-2/p+4
InChIKeyXTUGLZDLYMHZLJ-UHFFFAOYSA-R
MW1563.99 g/mol
LogP-2.78
Rot. Bonds

About molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)

molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine) (PubChem CID 139200304) has the molecular formula C20H28Mo8N8O26-48 and a molecular weight of 1563.99 g/mol. Its IUPAC name is molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine).

Molecular Properties

Compound Namemolybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)
PubChem CID139200304
Molecular FormulaC20H28Mo8N8O26-48
Molecular Weight1563.99 g/mol
Exact Mass1579.38
IUPAC Namemolybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)
SMILESNc1cc[nH+]cc1.Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/4C5H6N2.8Mo.26O/c4*6-5-1-3-7-4-2-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-4H,(H2,6,7);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;26*-2/p+4
InChIKeyXTUGLZDLYMHZLJ-UHFFFAOYSA-R
XLogP-2.78
TPSA901.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001563.99
LogP ≤ 5-2.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)?
The IUPAC name of molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine) (CID 139200304) is molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine).
What is the SMILES notation for molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)?
The canonical SMILES for molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine) is Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.Nc1cc[nH+]cc1.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)?
The InChIKey is XTUGLZDLYMHZLJ-UHFFFAOYSA-R. The full InChI is InChI=1S/4C5H6N2.8Mo.26O/c4*6-5-1-3-7-4-2-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-4H,(H2,6,7);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;26*-2/p+4.
What are the key properties of molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine)?
molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine) has a molecular weight of 1563.99 g/mol, XLogP of -2.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;(oxygen(2-));tetrakis(pyridin-1-ium-4-amine) is sourced from PubChem (CID 139200304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).