carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)

C18H26O2SY23-2 — CID 158868960

IUPACcarbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
SMILESCC.CC.O=S1(=O)c2ccccc2-c2ccccc21.[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H8O2S.2C2H6.2CH3.23Y/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;/h1-8H;2*1-2H3;2*1H3;;;;;;;;;;;;;;;;;;;;;;;/q;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyWYJSHZGKEFEYNJ-UHFFFAOYSA-N
MW2351.31 g/mol
LogP5.40
Rot. Bonds

About carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)

carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium) (PubChem CID 158868960) has the molecular formula C18H26O2SY23-2 and a molecular weight of 2351.31 g/mol. Its IUPAC name is carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium).

Molecular Properties

Compound Namecarbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
PubChem CID158868960
Molecular FormulaC18H26O2SY23-2
Molecular Weight2351.31 g/mol
Exact Mass2351.00
IUPAC Namecarbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
SMILESCC.CC.O=S1(=O)c2ccccc2-c2ccccc21.[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H8O2S.2C2H6.2CH3.23Y/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;/h1-8H;2*1-2H3;2*1H3;;;;;;;;;;;;;;;;;;;;;;;/q;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyWYJSHZGKEFEYNJ-UHFFFAOYSA-N
XLogP5.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002351.31
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,10-dioxothioxanthen-9-one;ethane
CID 142164564
dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
CID 167573355
2-bromodibenzothiophene 5,5-dioxide
CID 554821
ethane;2-methyl-10,10-dioxothioxanthen-9-one
CID 145125707
9-(dibromomethylidene)thioxanthene 10,10-dioxide
CID 147799061
3,4,5,6-tetraphenyl-14λ6-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene 14,14-dioxide
CID 12747549
(5,5-dioxodibenzothiophen-4-yl)boronic acid
CID 170898980
(5,5-dioxodibenzothiophen-4-yl)-trimethylsilane
CID 165347293
1,3-dimethyldibenzothiophene 5,5-dioxide
CID 58420751
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
2,3-dibromo-1,1-dioxothiochromen-4-one
CID 12614496
2-(4-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 148523872

Frequently Asked Questions

What is the IUPAC name of carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)?
The IUPAC name of carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium) (CID 158868960) is carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium).
What is the SMILES notation for carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)?
The canonical SMILES for carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium) is CC.CC.O=S1(=O)c2ccccc2-c2ccccc21.[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)?
The InChIKey is WYJSHZGKEFEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S.2C2H6.2CH3.23Y/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;/h1-8H;2*1-2H3;2*1H3;;;;;;;;;;;;;;;;;;;;;;;/q;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)?
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium) has a molecular weight of 2351.31 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium) is sourced from PubChem (CID 158868960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).