molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate

C24H52Mo2N8O12-12 — CID 139133551

IUPACmolybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate
SMILESO.O.O.O.O.O.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccc(CN2CCNCCNCC2)nc1.c1ccc(CN2CCNCCNCC2)nc1
InChIInChI=1S/2C12H20N4.2Mo.6H2O.6O/c2*1-2-4-15-12(3-1)11-16-9-7-13-5-6-14-8-10-16;;;;;;;;;;;;;;/h2*1-4,13-14H,5-11H2;;;6*1H2;;;;;;/q;;;;;;;;;;6*-2
InChIKeyFAZBHPPYSZHUKN-UHFFFAOYSA-N
MW836.60 g/mol
LogP-5.51
Rot. Bonds4

About molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate

molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate (PubChem CID 139133551) has the molecular formula C24H52Mo2N8O12-12 and a molecular weight of 836.60 g/mol. Its IUPAC name is molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate.

Molecular Properties

Compound Namemolybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate
PubChem CID139133551
Molecular FormulaC24H52Mo2N8O12-12
Molecular Weight836.60 g/mol
Exact Mass840.19
IUPAC Namemolybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate
SMILESO.O.O.O.O.O.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccc(CN2CCNCCNCC2)nc1.c1ccc(CN2CCNCCNCC2)nc1
InChIInChI=1S/2C12H20N4.2Mo.6H2O.6O/c2*1-2-4-15-12(3-1)11-16-9-7-13-5-6-14-8-10-16;;;;;;;;;;;;;;/h2*1-4,13-14H,5-11H2;;;6*1H2;;;;;;/q;;;;;;;;;;6*-2
InChIKeyFAZBHPPYSZHUKN-UHFFFAOYSA-N
XLogP-5.51
TPSA440.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500836.60
LogP ≤ 5-5.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate?
The IUPAC name of molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate (CID 139133551) is molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate.
What is the SMILES notation for molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate?
The canonical SMILES for molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate is O.O.O.O.O.O.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccc(CN2CCNCCNCC2)nc1.c1ccc(CN2CCNCCNCC2)nc1.
What is the InChIKey of molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate?
The InChIKey is FAZBHPPYSZHUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N4.2Mo.6H2O.6O/c2*1-2-4-15-12(3-1)11-16-9-7-13-5-6-14-8-10-16;;;;;;;;;;;;;;/h2*1-4,13-14H,5-11H2;;;6*1H2;;;;;;/q;;;;;;;;;;6*-2.
What are the key properties of molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate?
molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate has a molecular weight of 836.60 g/mol, XLogP of -5.51, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;hexakis(oxygen(2-));bis(1-(pyridin-2-ylmethyl)-1,4,7-triazonane);hexahydrate is sourced from PubChem (CID 139133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).