bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate

C36H68FeMo12N6O72P8-55 — CID 139062771

IUPACbis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate
SMILESC(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.O.O.O.O.O.O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.[Fe+3].[Mo+4].[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-][OH2+].[O-][OH2+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/3C12H10N2.Fe.12Mo.8H3O4P.2H2O2.12H2O.24O/c3*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;;;;;;;;;;;;;8*1-5(2,3)4;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-10H;;;;;;;;;;;;;;8*(H3,1,2,3,4);2*1H2;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q;;;+3;;;;;;;;;;;;+4;;;;;;;;;;;;;;;;;;;;;;;24*-2/p-14/b3*2-1+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyORFXRFRPKXDTDH-LNBWBUDXSA-A
MW3191.83 g/mol
LogP-24.74
Rot. Bonds6

About bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate

bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate (PubChem CID 139062771) has the molecular formula C36H68FeMo12N6O72P8-55 and a molecular weight of 3191.83 g/mol. Its IUPAC name is bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate.

Molecular Properties

Compound Namebis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate
PubChem CID139062771
Molecular FormulaC36H68FeMo12N6O72P8-55
Molecular Weight3191.83 g/mol
Exact Mass3214.80
IUPAC Namebis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate
SMILESC(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.O.O.O.O.O.O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.[Fe+3].[Mo+4].[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-][OH2+].[O-][OH2+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/3C12H10N2.Fe.12Mo.8H3O4P.2H2O2.12H2O.24O/c3*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;;;;;;;;;;;;;8*1-5(2,3)4;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-10H;;;;;;;;;;;;;;8*(H3,1,2,3,4);2*1H2;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q;;;+3;;;;;;;;;;;;+4;;;;;;;;;;;;;;;;;;;;;;;24*-2/p-14/b3*2-1+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyORFXRFRPKXDTDH-LNBWBUDXSA-A
XLogP-24.74
TPSA1891.46 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds6
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.83
LogP ≤ 5-24.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate with MolForge

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Related Compounds

dihydrogen phosphate;pyridin-1-ium-4-amine;hydrate
CID 139198007
4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium dinitrate
CID 139070781
4-[(E)-2-phenylethenyl]pyridin-1-ium chloride
CID 139257752
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
calcium;dihydrogen phosphate;nickel(2+);phosphate
CID 157380067
(E)-3-(4-methoxyphenyl)-1-pyridin-1-ium-4-ylprop-2-en-1-one;chloride;hydrate
CID 139199692
lithium hydroxy(2-phenylethenyl)phosphinate
CID 162120462
lithium;dihydrogen phosphate;dihydrate
CID 162740177
magnesium;dihydrogen phosphate;tetrahydrate
CID 23118847
lithium;dihydrogen phosphate;hydrate
CID 162740181
calcium;copper;hydrogen phosphate
CID 14367930
dimagnesium;hydrogen phosphate;hydroxide
CID 157147933

Frequently Asked Questions

What is the IUPAC name of bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate?
The IUPAC name of bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate (CID 139062771) is bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate.
What is the SMILES notation for bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate?
The canonical SMILES for bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate is C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.C(=C/c1cc[nH+]cc1)\c1cc[nH+]cc1.O.O.O.O.O.O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.[Fe+3].[Mo+4].[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-][OH2+].[O-][OH2+].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate?
The InChIKey is ORFXRFRPKXDTDH-LNBWBUDXSA-A. The full InChI is InChI=1S/3C12H10N2.Fe.12Mo.8H3O4P.2H2O2.12H2O.24O/c3*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;;;;;;;;;;;;;8*1-5(2,3)4;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-10H;;;;;;;;;;;;;;8*(H3,1,2,3,4);2*1H2;12*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q;;;+3;;;;;;;;;;;;+4;;;;;;;;;;;;;;;;;;;;;;;24*-2/p-14/b3*2-1+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate?
bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate has a molecular weight of 3191.83 g/mol, XLogP of -24.74, 6 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydrogen phosphate);hydrogen phosphate;iron(3+);molybdenum;molybdenum(4+);oxidooxidanium;(oxygen(2-));tris(4-[(E)-2-pyridin-1-ium-4-ylethenyl]pyridin-1-ium);hexahydroxide;hexahydrate is sourced from PubChem (CID 139062771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).