tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite

C24H16N4O7SeV2-10 — CID 139130828

IUPACtetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite
SMILESO=[Se]([O-])[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.H2O3Se.4O.2V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;;;/h2*1-8H;(H2,1,2,3);;;;;;/q;;;4*-2;;/p-2
InChIKeyZULPMXCGFAZXDP-UHFFFAOYSA-L
MW653.26 g/mol
LogP2.21
Rot. Bonds

About tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite

tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite (PubChem CID 139130828) has the molecular formula C24H16N4O7SeV2-10 and a molecular weight of 653.26 g/mol. Its IUPAC name is tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite.

Molecular Properties

Compound Nametetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite
PubChem CID139130828
Molecular FormulaC24H16N4O7SeV2-10
Molecular Weight653.26 g/mol
Exact Mass653.91
IUPAC Nametetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite
SMILESO=[Se]([O-])[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.H2O3Se.4O.2V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;;;/h2*1-8H;(H2,1,2,3);;;;;;/q;;;4*-2;;/p-2
InChIKeyZULPMXCGFAZXDP-UHFFFAOYSA-L
XLogP2.21
TPSA228.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline hydrate
CID 21226
Usambarensine
CID 5281413
1,10-Phenanthroline ferrous perchlorate
CID 84537
Eilatine
CID 149352
1,10-Phenanthroline ferrous sulfate
CID 84567
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Pt(Phen)Cl2, 2
CID 3524225
(2R,3Z,12bS)-3-ethylidene-2-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 5315138

Frequently Asked Questions

What is the IUPAC name of tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite?
The IUPAC name of tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite (CID 139130828) is tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite.
What is the SMILES notation for tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite?
The canonical SMILES for tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite is O=[Se]([O-])[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite?
The InChIKey is ZULPMXCGFAZXDP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.H2O3Se.4O.2V/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;;;/h2*1-8H;(H2,1,2,3);;;;;;/q;;;4*-2;;/p-2.
What are the key properties of tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite?
tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite has a molecular weight of 653.26 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(oxygen(2-));bis(1,10-phenanthroline);bis(vanadium);selenite is sourced from PubChem (CID 139130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).