tritylazanium iodide

C19H18IN — CID 88708906

IUPACtritylazanium iodide
SMILES[I-].[NH3+]C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N.HI/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,20H2;1H
InChIKeyVIXKZYNWMXZIFU-UHFFFAOYSA-N
MW387.26 g/mol
LogP0.22
Rot. Bonds3

About tritylazanium iodide

tritylazanium iodide (PubChem CID 88708906) has the molecular formula C19H18IN and a molecular weight of 387.26 g/mol. Its IUPAC name is tritylazanium iodide.

Molecular Properties

Compound Nametritylazanium iodide
PubChem CID88708906
Molecular FormulaC19H18IN
Molecular Weight387.26 g/mol
Exact Mass387.05
IUPAC Nametritylazanium iodide
SMILES[I-].[NH3+]C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N.HI/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,20H2;1H
InChIKeyVIXKZYNWMXZIFU-UHFFFAOYSA-N
XLogP0.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-triphenylethylsulfanium bromide
CID 172851267
2,2,2-triphenylethylphosphanium chloride
CID 21496958
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
1,2,3-triphenylpropan-2-ylazanium chloride
CID 21496963
CID 173375718
CID 173375718
tris(2,2,2-triphenylethanolate);yttrium(3+)
CID 160643710
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
4-(4-phenylheptan-4-ylsulfanyl)heptan-4-ylbenzene
CID 54542115
1,1,2,2,2-pentabromoethylbenzene
CID 159349505
tert-butylbenzene;molecular nitrogen
CID 146464751

Frequently Asked Questions

What is the IUPAC name of tritylazanium iodide?
The IUPAC name of tritylazanium iodide (CID 88708906) is tritylazanium iodide.
What is the SMILES notation for tritylazanium iodide?
The canonical SMILES for tritylazanium iodide is [I-].[NH3+]C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tritylazanium iodide?
The InChIKey is VIXKZYNWMXZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N.HI/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H,20H2;1H.
What are the key properties of tritylazanium iodide?
tritylazanium iodide has a molecular weight of 387.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritylazanium iodide is sourced from PubChem (CID 88708906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).