carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)

C25H34Y3-6 — CID 161381388

IUPACcarbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)
SMILESC.Cc1[c-]cccc1.Cc1c[c-]ccc1.Cc1cc[c-]cc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/3C7H7.CH4.3CH3.3Y/c3*1-7-5-3-2-4-6-7;;;;;;;/h3-6H,1H3;2-3,5-6H,1H3;2-5H,1H3;1H4;3*1H3;;;/q3*-1;;3*-1;;;
InChIKeyDBLCUBOEAXSZHG-UHFFFAOYSA-N
MW601.27 g/mol
LogP7.37
Rot. Bonds

About carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)

carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium) (PubChem CID 161381388) has the molecular formula C25H34Y3-6 and a molecular weight of 601.27 g/mol. Its IUPAC name is carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium).

Molecular Properties

Compound Namecarbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)
PubChem CID161381388
Molecular FormulaC25H34Y3-6
Molecular Weight601.27 g/mol
Exact Mass600.99
IUPAC Namecarbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)
SMILESC.Cc1[c-]cccc1.Cc1c[c-]ccc1.Cc1cc[c-]cc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/3C7H7.CH4.3CH3.3Y/c3*1-7-5-3-2-4-6-7;;;;;;;/h3-6H,1H3;2-3,5-6H,1H3;2-5H,1H3;1H4;3*1H3;;;/q3*-1;;3*-1;;;
InChIKeyDBLCUBOEAXSZHG-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.27
LogP ≤ 57.37
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

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Frequently Asked Questions

What is the IUPAC name of carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)?
The IUPAC name of carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium) (CID 161381388) is carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium).
What is the SMILES notation for carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)?
The canonical SMILES for carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium) is C.Cc1[c-]cccc1.Cc1c[c-]ccc1.Cc1cc[c-]cc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)?
The InChIKey is DBLCUBOEAXSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7.CH4.3CH3.3Y/c3*1-7-5-3-2-4-6-7;;;;;;;/h3-6H,1H3;2-3,5-6H,1H3;2-5H,1H3;1H4;3*1H3;;;/q3*-1;;3*-1;;;.
What are the key properties of carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)?
carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium) has a molecular weight of 601.27 g/mol, XLogP of 7.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium) is sourced from PubChem (CID 161381388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).