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

C64H105N7W4-4 — CID 160750793

IUPACbis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
SMILESC.CC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1[c-]cc(C)cc1.Cc1[c-]cc(C)cc1.Cc1cc[c-]cc1.Cc1cc[c-]nc1.[W].[W].[W].[W]
InChIInChI=1S/2C8H9.2C7H15N.2C7H13N.C7H7.C6H14N2.C6H6N.CH4.4W/c6*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;2*3H,4-6H2,1-2H3;3-6H,1H3;3-6H2,1-2H3;2-3,5H,1H3;1H4;;;;/q2*-1;;;;;-1;;-1;;;;;
InChIKeyJZGCZJOYFFLWGH-UHFFFAOYSA-N
MW1707.95 g/mol
LogP12.91
Rot. Bonds

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

bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten (PubChem CID 160750793) has the molecular formula C64H105N7W4-4 and a molecular weight of 1707.95 g/mol. Its IUPAC name is bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten.

Molecular Properties

Compound Namebis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
PubChem CID160750793
Molecular FormulaC64H105N7W4-4
Molecular Weight1707.95 g/mol
Exact Mass1707.65
IUPAC Namebis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
SMILESC.CC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1[c-]cc(C)cc1.Cc1[c-]cc(C)cc1.Cc1cc[c-]cc1.Cc1cc[c-]nc1.[W].[W].[W].[W]
InChIInChI=1S/2C8H9.2C7H15N.2C7H13N.C7H7.C6H14N2.C6H6N.CH4.4W/c6*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;2*3H,4-6H2,1-2H3;3-6H,1H3;3-6H2,1-2H3;2-3,5H,1H3;1H4;;;;/q2*-1;;;;;-1;;-1;;;;;
InChIKeyJZGCZJOYFFLWGH-UHFFFAOYSA-N
XLogP12.91
TPSA32.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001707.95
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
CID 157461758
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;1-methylpiperidin-4-ide;tungsten
CID 157495430
1,4-dimethylbenzene-6-ide;bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methylbenzene;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten
CID 159420632
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 160542603
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

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
The IUPAC name of bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten (CID 160750793) is bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten.
What is the SMILES notation for bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
The canonical SMILES for bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten is C.CC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1[c-]cc(C)cc1.Cc1[c-]cc(C)cc1.Cc1cc[c-]cc1.Cc1cc[c-]nc1.[W].[W].[W].[W].
What is the InChIKey of bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
The InChIKey is JZGCZJOYFFLWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9.2C7H15N.2C7H13N.C7H7.C6H14N2.C6H6N.CH4.4W/c6*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;2*3H,4-6H2,1-2H3;3-6H,1H3;3-6H2,1-2H3;2-3,5H,1H3;1H4;;;;/q2*-1;;;;;-1;;-1;;;;;.
What are the key properties of bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten?
bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten has a molecular weight of 1707.95 g/mol, XLogP of 12.91, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylbenzene-6-ide);bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);methane;methylbenzene;5-methyl-2H-pyridin-2-ide;tungsten is sourced from PubChem (CID 160750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).