anthracene-9,10-dione;carbanide;ethane;yttrium

C17H17O2Y- — CID 165067148

IUPACanthracene-9,10-dione;carbanide;ethane;yttrium
SMILESCC.O=C1c2ccccc2C(=O)c2ccccc21.[CH3-].[Y]
InChIInChI=1S/C14H8O2.C2H6.CH3.Y/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2;;/h1-8H;1-2H3;1H3;/q;;-1;
InChIKeyQTWWXSGNLTYSED-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.94
Rot. Bonds

About anthracene-9,10-dione;carbanide;ethane;yttrium

anthracene-9,10-dione;carbanide;ethane;yttrium (PubChem CID 165067148) has the molecular formula C17H17O2Y- and a molecular weight of 342.23 g/mol. Its IUPAC name is anthracene-9,10-dione;carbanide;ethane;yttrium.

Molecular Properties

Compound Nameanthracene-9,10-dione;carbanide;ethane;yttrium
PubChem CID165067148
Molecular FormulaC17H17O2Y-
Molecular Weight342.23 g/mol
Exact Mass342.03
IUPAC Nameanthracene-9,10-dione;carbanide;ethane;yttrium
SMILESCC.O=C1c2ccccc2C(=O)c2ccccc21.[CH3-].[Y]
InChIInChI=1S/C14H8O2.C2H6.CH3.Y/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2;;/h1-8H;1-2H3;1H3;/q;;-1;
InChIKeyQTWWXSGNLTYSED-UHFFFAOYSA-N
XLogP3.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;carbanide;ethane;yttrium?
The IUPAC name of anthracene-9,10-dione;carbanide;ethane;yttrium (CID 165067148) is anthracene-9,10-dione;carbanide;ethane;yttrium.
What is the SMILES notation for anthracene-9,10-dione;carbanide;ethane;yttrium?
The canonical SMILES for anthracene-9,10-dione;carbanide;ethane;yttrium is CC.O=C1c2ccccc2C(=O)c2ccccc21.[CH3-].[Y].
What is the InChIKey of anthracene-9,10-dione;carbanide;ethane;yttrium?
The InChIKey is QTWWXSGNLTYSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C2H6.CH3.Y/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2;;/h1-8H;1-2H3;1H3;/q;;-1;.
What are the key properties of anthracene-9,10-dione;carbanide;ethane;yttrium?
anthracene-9,10-dione;carbanide;ethane;yttrium has a molecular weight of 342.23 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;carbanide;ethane;yttrium is sourced from PubChem (CID 165067148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).