benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)

C33H52W20Y2-12 — CID 162287075

IUPACbenzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.[CH-]1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[c-]1ccccc1
InChIInChI=1S/2C7H7.C6H5.C5H9.8CH3.20W.2Y/c2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*3-6H,1H3;1-5H;1H,2-5H2;8*1H3;;;;;;;;;;;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUBUVXYHLFWYDCE-UHFFFAOYSA-N
MW4303.39 g/mol
LogP10.39
Rot. Bonds

About benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)

benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium) (PubChem CID 162287075) has the molecular formula C33H52W20Y2-12 and a molecular weight of 4303.39 g/mol. Its IUPAC name is benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium).

Molecular Properties

Compound Namebenzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)
PubChem CID162287075
Molecular FormulaC33H52W20Y2-12
Molecular Weight4303.39 g/mol
Exact Mass4305.24
IUPAC Namebenzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.[CH-]1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[c-]1ccccc1
InChIInChI=1S/2C7H7.C6H5.C5H9.8CH3.20W.2Y/c2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*3-6H,1H3;1-5H;1H,2-5H2;8*1H3;;;;;;;;;;;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUBUVXYHLFWYDCE-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004303.39
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;carbanide;toluene;tungsten(2+)
CID 143728683
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
methylbenzene;zirconium
CID 154186584
cobalt(3+);methylbenzene
CID 156753430
methylbenzene;yttrium(3+)
CID 22952606
magnesium;methylbenzene;oxolane;chloride
CID 131721815
benzene;titanium(2+);dichloride
CID 171374998
carbanide;dioxouranium(2+);methylbenzene
CID 163813971
methanol;methylbenzene;titanium
CID 141397968

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)?
The IUPAC name of benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium) (CID 162287075) is benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium).
What is the SMILES notation for benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)?
The canonical SMILES for benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium) is Cc1cc[c-]cc1.Cc1cc[c-]cc1.[CH-]1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[c-]1ccccc1.
What is the InChIKey of benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)?
The InChIKey is UBUVXYHLFWYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.C6H5.C5H9.8CH3.20W.2Y/c2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*3-6H,1H3;1-5H;1H,2-5H2;8*1H3;;;;;;;;;;;;;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium)?
benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium) has a molecular weight of 4303.39 g/mol, XLogP of 10.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;cyclopentane;methylbenzene;tungsten;bis(yttrium) is sourced from PubChem (CID 162287075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).