cyclohexyl(triphenyl)azanium

C24H26N+ — CID 139671761

IUPACcyclohexyl(triphenyl)azanium
SMILESc1ccc([N+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H26N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q+1
InChIKeyUIZDKXSQCTXJKE-UHFFFAOYSA-N
MW328.48 g/mol
LogP6.99
Rot. Bonds4

About cyclohexyl(triphenyl)azanium

cyclohexyl(triphenyl)azanium (PubChem CID 139671761) has the molecular formula C24H26N+ and a molecular weight of 328.48 g/mol. Its IUPAC name is cyclohexyl(triphenyl)azanium.

Molecular Properties

Compound Namecyclohexyl(triphenyl)azanium
PubChem CID139671761
Molecular FormulaC24H26N+
Molecular Weight328.48 g/mol
Exact Mass328.21
IUPAC Namecyclohexyl(triphenyl)azanium
SMILESc1ccc([N+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H26N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q+1
InChIKeyUIZDKXSQCTXJKE-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

boranuide;cyclohexyl-dimethyl-phenylazanium
CID 173258022
dicyclohexyl(phenyl)bismuthane;sulfane
CID 172701421
CID 159076923
CID 159076923
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1,1'-biphenyl;cyclohexanol
CID 142137438
cyclodecyl(triphenyl)phosphanium
CID 156526903
cyclohexyl(phenyl)iodanium
CID 87308360
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
benzene;cyclohexane;sulfane
CID 67709458
cyclohexyl-methyl-dipyridin-2-ylazanium
CID 57021193
cyclohexyl(phenyl)tin(2+)
CID 70476450

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(triphenyl)azanium?
The IUPAC name of cyclohexyl(triphenyl)azanium (CID 139671761) is cyclohexyl(triphenyl)azanium.
What is the SMILES notation for cyclohexyl(triphenyl)azanium?
The canonical SMILES for cyclohexyl(triphenyl)azanium is c1ccc([N+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl(triphenyl)azanium?
The InChIKey is UIZDKXSQCTXJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q+1.
What are the key properties of cyclohexyl(triphenyl)azanium?
cyclohexyl(triphenyl)azanium has a molecular weight of 328.48 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(triphenyl)azanium is sourced from PubChem (CID 139671761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).