1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))

C26H24N2V2+2 — CID 162211345

IUPAC1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))
SMILESCc1cc(-c2[c-]cccc2)[c-]c[n+]1C.Cc1ccc(-c2[c-]cccc2)[c-][n+]1C.[V+2].[V+2]
InChIInChI=1S/2C13H12N.2V/c1-11-10-13(8-9-14(11)2)12-6-4-3-5-7-12;1-11-8-9-13(10-14(11)2)12-6-4-3-5-7-12;;/h3-6,9-10H,1-2H3;3-6,8-9H,1-2H3;;/q2*-1;2*+2
InChIKeyKTLORMAHTGMHDG-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.17
Rot. Bonds2

About 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))

1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)) (PubChem CID 162211345) has the molecular formula C26H24N2V2+2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)).

Molecular Properties

Compound Name1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))
PubChem CID162211345
Molecular FormulaC26H24N2V2+2
Molecular Weight466.38 g/mol
Exact Mass466.08
IUPAC Name1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))
SMILESCc1cc(-c2[c-]cccc2)[c-]c[n+]1C.Cc1ccc(-c2[c-]cccc2)[c-][n+]1C.[V+2].[V+2]
InChIInChI=1S/2C13H12N.2V/c1-11-10-13(8-9-14(11)2)12-6-4-3-5-7-12;1-11-8-9-13(10-14(11)2)12-6-4-3-5-7-12;;/h3-6,9-10H,1-2H3;3-6,8-9H,1-2H3;;/q2*-1;2*+2
InChIKeyKTLORMAHTGMHDG-UHFFFAOYSA-N
XLogP4.17
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 58599965
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CID 159116160
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
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1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
CID 172528303

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))?
The IUPAC name of 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)) (CID 162211345) is 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)).
What is the SMILES notation for 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))?
The canonical SMILES for 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)) is Cc1cc(-c2[c-]cccc2)[c-]c[n+]1C.Cc1ccc(-c2[c-]cccc2)[c-][n+]1C.[V+2].[V+2].
What is the InChIKey of 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))?
The InChIKey is KTLORMAHTGMHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N.2V/c1-11-10-13(8-9-14(11)2)12-6-4-3-5-7-12;1-11-8-9-13(10-14(11)2)12-6-4-3-5-7-12;;/h3-6,9-10H,1-2H3;3-6,8-9H,1-2H3;;/q2*-1;2*+2.
What are the key properties of 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))?
1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)) has a molecular weight of 466.38 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+)) is sourced from PubChem (CID 162211345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).