benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium

C19H17NWY-2 — CID 59588918

IUPACbenzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium
SMILES[CH2-]c1c[c-]ccn1.[CH2-]c1ccccc1.[W+2].[Y].[c-]1ccccc1
InChIInChI=1S/C7H7.C6H5N.C6H5.W.Y/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;;/h2-6H,1H2;3-5H,1H2;1-5H;;/q-1;-2;-1;+2;
InChIKeyCMKZWISASLXHFS-UHFFFAOYSA-N
MW532.10 g/mol
LogP4.41
Rot. Bonds

About benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium

benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium (PubChem CID 59588918) has the molecular formula C19H17NWY-2 and a molecular weight of 532.10 g/mol. Its IUPAC name is benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium.

Molecular Properties

Compound Namebenzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium
PubChem CID59588918
Molecular FormulaC19H17NWY-2
Molecular Weight532.10 g/mol
Exact Mass531.99
IUPAC Namebenzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium
SMILES[CH2-]c1c[c-]ccn1.[CH2-]c1ccccc1.[W+2].[Y].[c-]1ccccc1
InChIInChI=1S/C7H7.C6H5N.C6H5.W.Y/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;;/h2-6H,1H2;3-5H,1H2;1-5H;;/q-1;-2;-1;+2;
InChIKeyCMKZWISASLXHFS-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.10
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium?
The IUPAC name of benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium (CID 59588918) is benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium.
What is the SMILES notation for benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium?
The canonical SMILES for benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium is [CH2-]c1c[c-]ccn1.[CH2-]c1ccccc1.[W+2].[Y].[c-]1ccccc1.
What is the InChIKey of benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium?
The InChIKey is CMKZWISASLXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C6H5N.C6H5.W.Y/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;;/h2-6H,1H2;3-5H,1H2;1-5H;;/q-1;-2;-1;+2;.
What are the key properties of benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium?
benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium has a molecular weight of 532.10 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;tungsten(2+);yttrium is sourced from PubChem (CID 59588918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).