N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

C20H16N4 — CID 720071

IUPACN,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine
SMILESc1ccc(/N=c2\[n-][n+](-c3ccccc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H/b21-20+
InChIKeyCWGBFIRHYJNILV-QZQOTICOSA-N
MW312.38 g/mol
LogP2.94
Rot. Bonds3

About N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine (PubChem CID 720071) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine.

Molecular Properties

Compound NameN,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine
PubChem CID720071
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine
SMILESc1ccc(/N=c2\[n-][n+](-c3ccccc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H/b21-20+
InChIKeyCWGBFIRHYJNILV-QZQOTICOSA-N
XLogP2.94
TPSA35.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine?
The IUPAC name of N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine (CID 720071) is N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine.
What is the SMILES notation for N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine?
The canonical SMILES for N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine is c1ccc(/N=c2\[n-][n+](-c3ccccc3)cn2-c2ccccc2)cc1.
What is the InChIKey of N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine?
The InChIKey is CWGBFIRHYJNILV-QZQOTICOSA-N. The full InChI is InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H/b21-20+.
What are the key properties of N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine?
N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine has a molecular weight of 312.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine is sourced from PubChem (CID 720071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).