methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))

C15H24V5 — CID 58055480

IUPACmethanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
SMILESC[C-](C)C.C[C-](C)C.[CH2-]c1c[c-]ccc1.[V+2].[V+2].[V].[V].[V]
InChIInChI=1S/C7H6.2C4H9.5V/c1-7-5-3-2-4-6-7;2*1-4(2)3;;;;;/h2-3,5-6H,1H2;2*1-3H3;;;;;/q-2;2*-1;;;;2*+2
InChIKeyZGJHYURQNFCYLH-UHFFFAOYSA-N
MW459.08 g/mol
LogP4.90
Rot. Bonds

About methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))

methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) (PubChem CID 58055480) has the molecular formula C15H24V5 and a molecular weight of 459.08 g/mol. Its IUPAC name is methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)).

Molecular Properties

Compound Namemethanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
PubChem CID58055480
Molecular FormulaC15H24V5
Molecular Weight459.08 g/mol
Exact Mass458.91
IUPAC Namemethanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
SMILESC[C-](C)C.C[C-](C)C.[CH2-]c1c[c-]ccc1.[V+2].[V+2].[V].[V].[V]
InChIInChI=1S/C7H6.2C4H9.5V/c1-7-5-3-2-4-6-7;2*1-4(2)3;;;;;/h2-3,5-6H,1H2;2*1-3H3;;;;;/q-2;2*-1;;;;2*+2
InChIKeyZGJHYURQNFCYLH-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.08
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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methylbenzene;tungsten
CID 58806185
zinc;benzene;methanidylbenzene
CID 139243256
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CID 141332066
ethane;methylbenzene;tungsten(2+)
CID 159613245
zinc;ethane;methoxybenzene
CID 135076915
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CID 88733619

Frequently Asked Questions

What is the IUPAC name of methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
The IUPAC name of methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) (CID 58055480) is methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)).
What is the SMILES notation for methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
The canonical SMILES for methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) is C[C-](C)C.C[C-](C)C.[CH2-]c1c[c-]ccc1.[V+2].[V+2].[V].[V].[V].
What is the InChIKey of methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
The InChIKey is ZGJHYURQNFCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.2C4H9.5V/c1-7-5-3-2-4-6-7;2*1-4(2)3;;;;;/h2-3,5-6H,1H2;2*1-3H3;;;;;/q-2;2*-1;;;;2*+2.
What are the key properties of methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) has a molecular weight of 459.08 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) is sourced from PubChem (CID 58055480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).