bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)

C26H28N4O14V4-20 — CID 139158825

IUPACbis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)
SMILESC[O-].C[O-].C[O-].C[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[V].[V].[V].[V]
InChIInChI=1S/2C11H8N2O2.4CH3O.6O.4V/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*1-2;;;;;;;;;;/h2*1-8H;4*1H3;;;;;;;;;;/q2*-2;4*-1;6*-2;;;;
InChIKeyPXJGOCIMWDALJE-UHFFFAOYSA-N
MW824.30 g/mol
LogP-6.02
Rot. Bonds4

About bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)

bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium) (PubChem CID 139158825) has the molecular formula C26H28N4O14V4-20 and a molecular weight of 824.30 g/mol. Its IUPAC name is bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium).

Molecular Properties

Compound Namebis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)
PubChem CID139158825
Molecular FormulaC26H28N4O14V4-20
Molecular Weight824.30 g/mol
Exact Mass823.95
IUPAC Namebis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)
SMILESC[O-].C[O-].C[O-].C[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[V].[V].[V].[V]
InChIInChI=1S/2C11H8N2O2.4CH3O.6O.4V/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*1-2;;;;;;;;;;/h2*1-8H;4*1H3;;;;;;;;;;/q2*-2;4*-1;6*-2;;;;
InChIKeyPXJGOCIMWDALJE-UHFFFAOYSA-N
XLogP-6.02
TPSA407.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.30
LogP ≤ 5-6.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate
CID 139055892
(5) Ti(Opy)2(Obut)2
CID 139128835
Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));hexakis(manganese(3+));bis(methoxy(dipyridin-2-yl)methanolate);bis(oxygen(2-));propanoate
CID 139131613
Tetrakis(dipyridin-2-ylmethanediolate);manganese;octakis(oxygen(2-));propanoate;bis(terbium(3+));dinitrate
CID 139144144
Tetrakis(dipyridin-2-ylmethanediolate);bis(gadolinium(3+));manganese;octakis(oxygen(2-));propanoate;tetranitrate
CID 139144145
Tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate
CID 139144209
Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine);tetranitrate
CID 139144210
Heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
CID 139158824
CID 139158824
Bis(iron(2+));bis(methoxy-bis(6-pyridin-2-yl-2-pyridinyl)methanolate);diperchlorate
CID 139162090
Dizinc;bis(methoxy-bis(6-pyridin-2-yl-2-pyridinyl)methanolate);diperchlorate
CID 139162096
Hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate
CID 139169513

Frequently Asked Questions

What is the IUPAC name of bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)?
The IUPAC name of bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium) (CID 139158825) is bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium).
What is the SMILES notation for bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)?
The canonical SMILES for bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium) is C[O-].C[O-].C[O-].C[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[V].[V].[V].[V].
What is the InChIKey of bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)?
The InChIKey is PXJGOCIMWDALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N2O2.4CH3O.6O.4V/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*1-2;;;;;;;;;;/h2*1-8H;4*1H3;;;;;;;;;;/q2*-2;4*-1;6*-2;;;;.
What are the key properties of bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)?
bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium) has a molecular weight of 824.30 g/mol, XLogP of -6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium) is sourced from PubChem (CID 139158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).