2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride

C22H23ClN4 — CID 2733867

IUPAC2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
SMILESCCN(CC)c1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-]
InChIInChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H
InChIKeyMOVNSGGBTSIUGX-UHFFFAOYSA-N
MW378.91 g/mol
LogP1.10
Rot. Bonds4

About 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride

2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride (PubChem CID 2733867) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride.

Molecular Properties

Compound Name2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
PubChem CID2733867
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride
SMILESCCN(CC)c1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-]
InChIInChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H
InChIKeyMOVNSGGBTSIUGX-UHFFFAOYSA-N
XLogP1.10
TPSA46.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride 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 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
The IUPAC name of 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride (CID 2733867) is 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride.
What is the SMILES notation for 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
The canonical SMILES for 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride is CCN(CC)c1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-].
What is the InChIKey of 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
The InChIKey is MOVNSGGBTSIUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H.
What are the key properties of 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride?
2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride has a molecular weight of 378.91 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-10-phenylphenazin-10-ium-2,8-diamine chloride is sourced from PubChem (CID 2733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).