bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)

C40H30N4O10V2-10 — CID 139077252

IUPACbis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)
SMILESCOc1cc(C=O)ccc1[O-].COc1cc(C=O)ccc1[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C8H8O3.4O.2V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-11-8-4-6(5-9)2-3-7(8)10;;;;;;/h2*1-8H;2*2-5,10H,1H3;;;;;;/q;;;;4*-2;;/p-2
InChIKeyDQPCNUIFMDMAOX-UHFFFAOYSA-L
MW828.59 g/mol
LogP6.25
Rot. Bonds4

About bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)

bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium) (PubChem CID 139077252) has the molecular formula C40H30N4O10V2-10 and a molecular weight of 828.59 g/mol. Its IUPAC name is bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium).

Molecular Properties

Compound Namebis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)
PubChem CID139077252
Molecular FormulaC40H30N4O10V2-10
Molecular Weight828.59 g/mol
Exact Mass828.09
IUPAC Namebis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)
SMILESCOc1cc(C=O)ccc1[O-].COc1cc(C=O)ccc1[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C8H8O3.4O.2V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-11-8-4-6(5-9)2-3-7(8)10;;;;;;/h2*1-8H;2*2-5,10H,1H3;;;;;;/q;;;;4*-2;;/p-2
InChIKeyDQPCNUIFMDMAOX-UHFFFAOYSA-L
XLogP6.25
TPSA264.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.59
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3,4-Dimethoxyphenyl)-2-oxoethyl)(1,10)phenanthrolin-1-ium bromide
CID 90486694
tris((1Z)-1-(5,6-dimethoxy-3-oxo-1H-inden-2-ylidene)-2,2,2-trifluoroethanolate);1,10-phenanthroline;samarium(3+)
CID 139160325
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
tris((1Z)-1-(5,6-dimethoxy-3-oxo-1H-inden-2-ylidene)-2,2,2-trifluoroethanolate);neodymium(3+);1,10-phenanthroline
CID 168340690
(2-Formyl-6-methoxyphenolato-kappa^2^O^1^,O^2^)(perchlorato-kappaO)(1,10-phenanthroline-kappa^2^N,N')copper(II)
CID 139074559
p-Methoxybenzoate phenanthroline terbium
CID 139077371
Bis(3,4-dimethoxybenzoato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')copper(II)
CID 139078097
Tetrakis(mu~2~-3,4-dimethoxyphenylacetato)-kappa^3^O,O':O'; kappa^3^O:O:O';kappa^2^O:O'; kappa^2^O:O'-bis[(3,4-dimethoxyphenylacetato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N)thulium(III)]
CID 139078126
Tetrakis(mu-3,4-dimethoxyphenylacetato)bis[(3,4-dimethoxyphenylacetato)(1,10-phenanthroline)dysprosium(III)]
CID 139078495
Tetrakis[mu-2-(3,4-dimethoxyphenyl)acetato]-kappa^4^O:O'; kappa^3^O,O':O;kappa^3^O:O,O'-bis{[2-(3,4-dimethoxyphenyl)acetato-kappa^2^O,O'](1,10-phenanthroline-kappa^2^N,N')samarium(III)}
CID 139079627
Tetrakis(mu-3,4-dimethoxyphenylacetato)bis[(3,4-dimethoxyphenylacetato)(1,10-phenanthroline)holmium(III)]
CID 139079875
Tetrakis[mu-2-(3,4-dimethoxyphenyl)acetato]-kappa^3^O^1^,O^1'^:O^1^; kappa^3^O^1^:O^1^,O^1'^;kappa^4^O^1^:O^1'^-bis{[2-(3,4-dimethoxyphenyl)acetato-kappa^2^O^1^,O^1'^](1,10-phenanthroline-kappa^2^N,N')erbium(III)}
CID 139079890

Frequently Asked Questions

What is the IUPAC name of bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)?
The IUPAC name of bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium) (CID 139077252) is bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium).
What is the SMILES notation for bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)?
The canonical SMILES for bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium) is COc1cc(C=O)ccc1[O-].COc1cc(C=O)ccc1[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)?
The InChIKey is DQPCNUIFMDMAOX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.2C8H8O3.4O.2V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-11-8-4-6(5-9)2-3-7(8)10;;;;;;/h2*1-8H;2*2-5,10H,1H3;;;;;;/q;;;;4*-2;;/p-2.
What are the key properties of bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium)?
bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium) has a molecular weight of 828.59 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-formyl-2-methoxyphenolate);tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium) is sourced from PubChem (CID 139077252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).