bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate

C40H54N6O8SV2-10 — CID 139041353

IUPACbis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate
SMILESCC#N.CC#N.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])[O-].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/2C18H24N2.2C2H3N.H2O4S.4O.2V/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2-3;1-5(2,3)4;;;;;;/h2*7-12H,1-6H3;2*1H3;(H2,1,2,3,4);;;;;;/q;;;;;4*-2;;/p-2
InChIKeyWAQKMHYXVDGWLE-UHFFFAOYSA-L
MW880.86 g/mol
LogP8.72
Rot. Bonds2

About bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate

bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate (PubChem CID 139041353) has the molecular formula C40H54N6O8SV2-10 and a molecular weight of 880.86 g/mol. Its IUPAC name is bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate.

Molecular Properties

Compound Namebis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate
PubChem CID139041353
Molecular FormulaC40H54N6O8SV2-10
Molecular Weight880.86 g/mol
Exact Mass880.27
IUPAC Namebis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate
SMILESCC#N.CC#N.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])[O-].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/2C18H24N2.2C2H3N.H2O4S.4O.2V/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2-3;1-5(2,3)4;;;;;;/h2*7-12H,1-6H3;2*1H3;(H2,1,2,3,4);;;;;;/q;;;;;4*-2;;/p-2
InChIKeyWAQKMHYXVDGWLE-UHFFFAOYSA-L
XLogP8.72
TPSA293.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.86
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
CID 139042186
[Cu(bpy2py))2OTf*2CH3CN
CID 139042424
[Zn(bpy2py)OTf)OTf*CH3CN
CID 139042425
[Co(bpy2pyCF3)OTf)OTf*5CH3CN
CID 139042426
Acetonitrile;antimony(3+);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tris(trifluoromethanesulfonate)
CID 139046316
Bis(4,4'-di-tert-butyl-2,2'-bipyridine-kappa^2^N,N')silver(I) trifluoromethanesulfonate
CID 139072979
Mab.III.112
CID 139109495
Bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);gold;dihydrate
CID 71593225

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate?
The IUPAC name of bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate (CID 139041353) is bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate.
What is the SMILES notation for bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate?
The canonical SMILES for bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate is CC#N.CC#N.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=S(=O)([O-])[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].
What is the InChIKey of bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate?
The InChIKey is WAQKMHYXVDGWLE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H24N2.2C2H3N.H2O4S.4O.2V/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2-3;1-5(2,3)4;;;;;;/h2*7-12H,1-6H3;2*1H3;(H2,1,2,3,4);;;;;;/q;;;;;4*-2;;/p-2.
What are the key properties of bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate?
bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate has a molecular weight of 880.86 g/mol, XLogP of 8.72, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tetrakis(oxygen(2-));bis(vanadium);sulfate is sourced from PubChem (CID 139041353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).