molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate

C20H16Mo14N4O44Si-84 — CID 139140752

IUPACmolybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate
SMILES[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[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].[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-][Si]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C10H8N2.14Mo.O4Si.40O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-8H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;-4;40*-2
InChIKeyQNBRZQBVFDZETE-UHFFFAOYSA-N
MW2387.58 g/mol
LogP-5.64
Rot. Bonds2

About molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate

molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate (PubChem CID 139140752) has the molecular formula C20H16Mo14N4O44Si-84 and a molecular weight of 2387.58 g/mol. Its IUPAC name is molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate.

Molecular Properties

Compound Namemolybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate
PubChem CID139140752
Molecular FormulaC20H16Mo14N4O44Si-84
Molecular Weight2387.58 g/mol
Exact Mass2414.61
IUPAC Namemolybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate
SMILES[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[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].[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-][Si]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C10H8N2.14Mo.O4Si.40O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-8H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;-4;40*-2
InChIKeyQNBRZQBVFDZETE-UHFFFAOYSA-N
XLogP-5.64
TPSA1283.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms83
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002387.58
LogP ≤ 5-5.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

gold;4-pyridin-4-ylpyridine
CID 159917709
ethane;4-pyridin-4-ylpyridine
CID 142013036
4-pyridin-4-ylpyridine;bis(trifluoroborane)
CID 14319291
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
azane;4-phenylpyridine
CID 175775455
4-[4-(4-pyridin-4-ylphenyl)sulfonylphenyl]pyridine
CID 155923380
4-pyridin-4-ylpyridine;1,3,5-triazinane-2,4,6-trithione
CID 139147649
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
bis(4-phenylpyridine);trichloroiridium
CID 58162878
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788

Frequently Asked Questions

What is the IUPAC name of molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate?
The IUPAC name of molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate (CID 139140752) is molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate.
What is the SMILES notation for molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate?
The canonical SMILES for molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate is [Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[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].[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-][Si]([O-])([O-])[O-].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate?
The InChIKey is QNBRZQBVFDZETE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.14Mo.O4Si.40O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-8H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;-4;40*-2.
What are the key properties of molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate?
molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate has a molecular weight of 2387.58 g/mol, XLogP of -5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;(oxygen(2-));bis(4-pyridin-4-ylpyridine);silicate is sourced from PubChem (CID 139140752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).