bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten

C56H87N6W5-5 — CID 161205156

IUPACbis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1[c-]c[c-]cc1.Cc1[c-]cc(C)cc1.Cc1[c-]cc(C)cc1.Cc1cc[c-]nc1.[W].[W].[W].[W].[W]
InChIInChI=1S/2C8H9.2C7H15N.C7H13N.C7H6.C6H14N2.C6H6N.5W/c5*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;;;;;/h2*3-5H,1-2H3;2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-5H,1H3;3-6H2,1-2H3;2-3,5H,1H3;;;;;/q2*-1;;;;-2;;-1;;;;;
InChIKeyBFTBVOLZOAJVHX-UHFFFAOYSA-N
MW1763.55 g/mol
LogP10.81
Rot. Bonds

About bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten

bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten (PubChem CID 161205156) has the molecular formula C56H87N6W5-5 and a molecular weight of 1763.55 g/mol. Its IUPAC name is bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten.

Molecular Properties

Compound Namebis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
PubChem CID161205156
Molecular FormulaC56H87N6W5-5
Molecular Weight1763.55 g/mol
Exact Mass1763.46
IUPAC Namebis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1[c-]c[c-]cc1.Cc1[c-]cc(C)cc1.Cc1[c-]cc(C)cc1.Cc1cc[c-]nc1.[W].[W].[W].[W].[W]
InChIInChI=1S/2C8H9.2C7H15N.C7H13N.C7H6.C6H14N2.C6H6N.5W/c5*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;;;;;/h2*3-5H,1-2H3;2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-5H,1H3;3-6H2,1-2H3;2-3,5H,1H3;;;;;/q2*-1;;;;-2;;-1;;;;;
InChIKeyBFTBVOLZOAJVHX-UHFFFAOYSA-N
XLogP10.81
TPSA29.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001763.55
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
The IUPAC name of bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten (CID 161205156) is bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten.
What is the SMILES notation for bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
The canonical SMILES for bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten is CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1[c-]c[c-]cc1.Cc1[c-]cc(C)cc1.Cc1[c-]cc(C)cc1.Cc1cc[c-]nc1.[W].[W].[W].[W].[W].
What is the InChIKey of bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
The InChIKey is BFTBVOLZOAJVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9.2C7H15N.C7H13N.C7H6.C6H14N2.C6H6N.5W/c5*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;;;;;/h2*3-5H,1-2H3;2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-5H,1H3;3-6H2,1-2H3;2-3,5H,1H3;;;;;/q2*-1;;;;-2;;-1;;;;;.
What are the key properties of bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten has a molecular weight of 1763.55 g/mol, XLogP of 10.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylbenzene-6-ide);1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten is sourced from PubChem (CID 161205156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).