benzene;carbanide;ethane;methane;bis(yttrium)

C36H78Y2-4 — CID 160954488

IUPACbenzene;carbanide;ethane;methane;bis(yttrium)
SMILESC.C.C.C.C.C.CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.4C2H6.6CH4.4CH3.2Y/c3*1-2-4-6-5-3-1;4*1-2;;;;;;;;;;;;/h3*1-6H;4*1-2H3;6*1H4;4*1H3;;/q;;;;;;;;;;;;;4*-1;;
InChIKeyISUYPLUFDXZGJP-UHFFFAOYSA-N
MW688.83 g/mol
LogP14.78
Rot. Bonds

About benzene;carbanide;ethane;methane;bis(yttrium)

benzene;carbanide;ethane;methane;bis(yttrium) (PubChem CID 160954488) has the molecular formula C36H78Y2-4 and a molecular weight of 688.83 g/mol. Its IUPAC name is benzene;carbanide;ethane;methane;bis(yttrium).

Molecular Properties

Compound Namebenzene;carbanide;ethane;methane;bis(yttrium)
PubChem CID160954488
Molecular FormulaC36H78Y2-4
Molecular Weight688.83 g/mol
Exact Mass688.42
IUPAC Namebenzene;carbanide;ethane;methane;bis(yttrium)
SMILESC.C.C.C.C.C.CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.4C2H6.6CH4.4CH3.2Y/c3*1-2-4-6-5-3-1;4*1-2;;;;;;;;;;;;/h3*1-6H;4*1-2H3;6*1H4;4*1H3;;/q;;;;;;;;;;;;;4*-1;;
InChIKeyISUYPLUFDXZGJP-UHFFFAOYSA-N
XLogP14.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 514.78
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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Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;ethane;methane;bis(yttrium)?
The IUPAC name of benzene;carbanide;ethane;methane;bis(yttrium) (CID 160954488) is benzene;carbanide;ethane;methane;bis(yttrium).
What is the SMILES notation for benzene;carbanide;ethane;methane;bis(yttrium)?
The canonical SMILES for benzene;carbanide;ethane;methane;bis(yttrium) is C.C.C.C.C.C.CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;carbanide;ethane;methane;bis(yttrium)?
The InChIKey is ISUYPLUFDXZGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.4C2H6.6CH4.4CH3.2Y/c3*1-2-4-6-5-3-1;4*1-2;;;;;;;;;;;;/h3*1-6H;4*1-2H3;6*1H4;4*1H3;;/q;;;;;;;;;;;;;4*-1;;.
What are the key properties of benzene;carbanide;ethane;methane;bis(yttrium)?
benzene;carbanide;ethane;methane;bis(yttrium) has a molecular weight of 688.83 g/mol, XLogP of 14.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;methane;bis(yttrium) is sourced from PubChem (CID 160954488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).