N,N-diethyl-10-phenylphenazin-10-ium-2-amine

C22H22N3+ — CID 71330589

IUPACN,N-diethyl-10-phenylphenazin-10-ium-2-amine
SMILESCCN(CC)c1ccc2nc3ccccc3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C22H22N3/c1-3-24(4-2)18-14-15-20-22(16-18)25(17-10-6-5-7-11-17)21-13-9-8-12-19(21)23-20/h5-16H,3-4H2,1-2H3/q+1
InChIKeyZMRATZXBDDLKBJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.51
Rot. Bonds4

About N,N-diethyl-10-phenylphenazin-10-ium-2-amine

N,N-diethyl-10-phenylphenazin-10-ium-2-amine (PubChem CID 71330589) has the molecular formula C22H22N3+ and a molecular weight of 328.44 g/mol. Its IUPAC name is N,N-diethyl-10-phenylphenazin-10-ium-2-amine.

Molecular Properties

Compound NameN,N-diethyl-10-phenylphenazin-10-ium-2-amine
PubChem CID71330589
Molecular FormulaC22H22N3+
Molecular Weight328.44 g/mol
Exact Mass328.18
IUPAC NameN,N-diethyl-10-phenylphenazin-10-ium-2-amine
SMILESCCN(CC)c1ccc2nc3ccccc3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C22H22N3/c1-3-24(4-2)18-14-15-20-22(16-18)25(17-10-6-5-7-11-17)21-13-9-8-12-19(21)23-20/h5-16H,3-4H2,1-2H3/q+1
InChIKeyZMRATZXBDDLKBJ-UHFFFAOYSA-N
XLogP4.51
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-phenylphenazin-10-ium-2-amine?
The IUPAC name of N,N-diethyl-10-phenylphenazin-10-ium-2-amine (CID 71330589) is N,N-diethyl-10-phenylphenazin-10-ium-2-amine.
What is the SMILES notation for N,N-diethyl-10-phenylphenazin-10-ium-2-amine?
The canonical SMILES for N,N-diethyl-10-phenylphenazin-10-ium-2-amine is CCN(CC)c1ccc2nc3ccccc3[n+](-c3ccccc3)c2c1.
What is the InChIKey of N,N-diethyl-10-phenylphenazin-10-ium-2-amine?
The InChIKey is ZMRATZXBDDLKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N3/c1-3-24(4-2)18-14-15-20-22(16-18)25(17-10-6-5-7-11-17)21-13-9-8-12-19(21)23-20/h5-16H,3-4H2,1-2H3/q+1.
What are the key properties of N,N-diethyl-10-phenylphenazin-10-ium-2-amine?
N,N-diethyl-10-phenylphenazin-10-ium-2-amine has a molecular weight of 328.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-phenylphenazin-10-ium-2-amine is sourced from PubChem (CID 71330589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).