benzene;carbanide;ethane;pentakis(yttrium)

C30H54Y5-4 — CID 158973800

IUPACbenzene;carbanide;ethane;pentakis(yttrium)
SMILESCC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.4C2H6.4CH3.5Y/c3*1-2-4-6-5-3-1;4*1-2;;;;;;;;;/h3*1-6H;4*1-2H3;4*1H3;;;;;/q;;;;;;;4*-1;;;;;
InChIKeyFMBIBQMDFTZAHL-UHFFFAOYSA-N
MW859.29 g/mol
LogP10.95
Rot. Bonds

About benzene;carbanide;ethane;pentakis(yttrium)

benzene;carbanide;ethane;pentakis(yttrium) (PubChem CID 158973800) has the molecular formula C30H54Y5-4 and a molecular weight of 859.29 g/mol. Its IUPAC name is benzene;carbanide;ethane;pentakis(yttrium).

Molecular Properties

Compound Namebenzene;carbanide;ethane;pentakis(yttrium)
PubChem CID158973800
Molecular FormulaC30H54Y5-4
Molecular Weight859.29 g/mol
Exact Mass858.95
IUPAC Namebenzene;carbanide;ethane;pentakis(yttrium)
SMILESCC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.4C2H6.4CH3.5Y/c3*1-2-4-6-5-3-1;4*1-2;;;;;;;;;/h3*1-6H;4*1-2H3;4*1H3;;;;;/q;;;;;;;4*-1;;;;;
InChIKeyFMBIBQMDFTZAHL-UHFFFAOYSA-N
XLogP10.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.29
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;carbanide;ethane;pentakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;ethane;pentakis(yttrium)?
The IUPAC name of benzene;carbanide;ethane;pentakis(yttrium) (CID 158973800) is benzene;carbanide;ethane;pentakis(yttrium).
What is the SMILES notation for benzene;carbanide;ethane;pentakis(yttrium)?
The canonical SMILES for benzene;carbanide;ethane;pentakis(yttrium) is CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;carbanide;ethane;pentakis(yttrium)?
The InChIKey is FMBIBQMDFTZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.4C2H6.4CH3.5Y/c3*1-2-4-6-5-3-1;4*1-2;;;;;;;;;/h3*1-6H;4*1-2H3;4*1H3;;;;;/q;;;;;;;4*-1;;;;;.
What are the key properties of benzene;carbanide;ethane;pentakis(yttrium)?
benzene;carbanide;ethane;pentakis(yttrium) has a molecular weight of 859.29 g/mol, XLogP of 10.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;pentakis(yttrium) is sourced from PubChem (CID 158973800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).