bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium

C20H24O5V+4 — CID 5165107

IUPACbis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
SMILESO=[V].[H]/[O+]=C(/C/C(C)=[O+]/[H])c1ccccc1.[H]/[O+]=C(/C/C(C)=[O+]/[H])c1ccccc1
InChIInChI=1S/2C10H10O2.O.V/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;;/h2*2-6H,7H2,1H3;;/p+4
InChIKeyVFGVRHLQEOCHGF-UHFFFAOYSA-R
MW395.35 g/mol
LogP2.95
Rot. Bonds6

About bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium

bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium (PubChem CID 5165107) has the molecular formula C20H24O5V+4 and a molecular weight of 395.35 g/mol. Its IUPAC name is bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium.

Molecular Properties

Compound Namebis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
PubChem CID5165107
Molecular FormulaC20H24O5V+4
Molecular Weight395.35 g/mol
Exact Mass395.10
IUPAC Namebis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
SMILESO=[V].[H]/[O+]=C(/C/C(C)=[O+]/[H])c1ccccc1.[H]/[O+]=C(/C/C(C)=[O+]/[H])c1ccccc1
InChIInChI=1S/2C10H10O2.O.V/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;;/h2*2-6H,7H2,1H3;;/p+4
InChIKeyVFGVRHLQEOCHGF-UHFFFAOYSA-R
XLogP2.95
TPSA102.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

nickel;bis((1-phenyl-3-phenyliminobutylidene)oxidanium)
CID 5181668
dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium
CID 4569372
copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium
CID 3847635
copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)
CID 50912491
λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
CID 50909714
ethyloxidanium;bis([(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium);titanium
CID 22834011
[chloro(phenyl)methylidene]oxidanium
CID 134973478
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
erbium;1-phenylbutane-1,3-dione
CID 175058632
CID 50934134
CID 50934134
CID 6386559
CID 6386559

Frequently Asked Questions

What is the IUPAC name of bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium?
The IUPAC name of bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium (CID 5165107) is bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium.
What is the SMILES notation for bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium?
The canonical SMILES for bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium is O=[V].[H]/[O+]=C(/C/C(C)=[O+]/[H])c1ccccc1.[H]/[O+]=C(/C/C(C)=[O+]/[H])c1ccccc1.
What is the InChIKey of bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium?
The InChIKey is VFGVRHLQEOCHGF-UHFFFAOYSA-R. The full InChI is InChI=1S/2C10H10O2.O.V/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;;/h2*2-6H,7H2,1H3;;/p+4.
What are the key properties of bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium?
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium has a molecular weight of 395.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium is sourced from PubChem (CID 5165107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).