diphenyliodanium;ethane;methane

C21H38I+ — CID 159636739

IUPACdiphenyliodanium;ethane;methane
SMILESC.CC.CC.CC.CC.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.4C2H6.CH4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2;/h1-10H;4*1-2H3;1H4/q+1;;;;;
InChIKeyMPVNFHTXWZQKBL-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.56
Rot. Bonds2

About diphenyliodanium;ethane;methane

diphenyliodanium;ethane;methane (PubChem CID 159636739) has the molecular formula C21H38I+ and a molecular weight of 417.44 g/mol. Its IUPAC name is diphenyliodanium;ethane;methane.

Molecular Properties

Compound Namediphenyliodanium;ethane;methane
PubChem CID159636739
Molecular FormulaC21H38I+
Molecular Weight417.44 g/mol
Exact Mass417.20
IUPAC Namediphenyliodanium;ethane;methane
SMILESC.CC.CC.CC.CC.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.4C2H6.CH4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2;/h1-10H;4*1-2H3;1H4/q+1;;;;;
InChIKeyMPVNFHTXWZQKBL-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyliodanium;ethane;methane?
The IUPAC name of diphenyliodanium;ethane;methane (CID 159636739) is diphenyliodanium;ethane;methane.
What is the SMILES notation for diphenyliodanium;ethane;methane?
The canonical SMILES for diphenyliodanium;ethane;methane is C.CC.CC.CC.CC.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of diphenyliodanium;ethane;methane?
The InChIKey is MPVNFHTXWZQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I.4C2H6.CH4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-2;/h1-10H;4*1-2H3;1H4/q+1;;;;;.
What are the key properties of diphenyliodanium;ethane;methane?
diphenyliodanium;ethane;methane has a molecular weight of 417.44 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyliodanium;ethane;methane is sourced from PubChem (CID 159636739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).