ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))

C36H46N4O12V4-10 — CID 139055121

IUPACethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.6C2H5O.6O.4V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-2-3;;;;;;;;;;/h2*1-8H;6*2H2,1H3;;;;;;;;;;/q;;6*-1;6*-2;;;2*+4
InChIKeyQBZATBNPUHGRGP-UHFFFAOYSA-N
MW930.56 g/mol
LogP1.04
Rot. Bonds

About ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))

ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)) (PubChem CID 139055121) has the molecular formula C36H46N4O12V4-10 and a molecular weight of 930.56 g/mol. Its IUPAC name is ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)).

Molecular Properties

Compound Nameethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))
PubChem CID139055121
Molecular FormulaC36H46N4O12V4-10
Molecular Weight930.56 g/mol
Exact Mass930.09
IUPAC Nameethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.6C2H5O.6O.4V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-2-3;;;;;;;;;;/h2*1-8H;6*2H2,1H3;;;;;;;;;;/q;;6*-1;6*-2;;;2*+4
InChIKeyQBZATBNPUHGRGP-UHFFFAOYSA-N
XLogP1.04
TPSA360.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500930.56
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Bis(cyano-C)bis(1,10-phenanthroline-N1,N10)iron
CID 167165
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
2-(2-Quinoxalin-2-ylethyl)-1,10-phenanthroline
CID 70114529
2-(2-Quinolin-2-ylethyl)-1,10-phenanthroline
CID 70116349
Bis(1,10-phenanthroline)oxalatoiron
CID 26904

Frequently Asked Questions

What is the IUPAC name of ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))?
The IUPAC name of ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)) (CID 139055121) is ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)).
What is the SMILES notation for ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))?
The canonical SMILES for ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)) is CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V+4].[V+4].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))?
The InChIKey is QBZATBNPUHGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.6C2H5O.6O.4V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-2-3;;;;;;;;;;/h2*1-8H;6*2H2,1H3;;;;;;;;;;/q;;6*-1;6*-2;;;2*+4.
What are the key properties of ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+))?
ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)) has a molecular weight of 930.56 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;hexakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);bis(vanadium(4+)) is sourced from PubChem (CID 139055121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).