methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)

C14H12NW2- — CID 20605162

IUPACmethylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)
SMILESCc1cc[c-]cc1.[H]/[C-]=N/c1[c-]cccc1.[W+2].[W]
InChIInChI=1S/C7H5N.C7H7.2W/c1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;;/h1-5H;3-6H,1H3;;/q-2;-1;;+2
InChIKeyAHWZXFWWVDGKOI-UHFFFAOYSA-N
MW561.94 g/mol
LogP3.49
Rot. Bonds1

About methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)

methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+) (PubChem CID 20605162) has the molecular formula C14H12NW2- and a molecular weight of 561.94 g/mol. Its IUPAC name is methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+).

Molecular Properties

Compound Namemethylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)
PubChem CID20605162
Molecular FormulaC14H12NW2-
Molecular Weight561.94 g/mol
Exact Mass562.00
IUPAC Namemethylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)
SMILESCc1cc[c-]cc1.[H]/[C-]=N/c1[c-]cccc1.[W+2].[W]
InChIInChI=1S/C7H5N.C7H7.2W/c1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;;/h1-5H;3-6H,1H3;;/q-2;-1;;+2
InChIKeyAHWZXFWWVDGKOI-UHFFFAOYSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.94
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)?
The IUPAC name of methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+) (CID 20605162) is methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+).
What is the SMILES notation for methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)?
The canonical SMILES for methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+) is Cc1cc[c-]cc1.[H]/[C-]=N/c1[c-]cccc1.[W+2].[W].
What is the InChIKey of methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)?
The InChIKey is AHWZXFWWVDGKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.C7H7.2W/c1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;;/h1-5H;3-6H,1H3;;/q-2;-1;;+2.
What are the key properties of methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)?
methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+) has a molecular weight of 561.94 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+) is sourced from PubChem (CID 20605162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).