5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine

C24H17ClN4 — CID 167732684

IUPAC5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine
SMILES[H]/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C24H17ClN4/c25-16-10-12-18(13-11-16)29-23-9-5-4-8-20(23)28-22-15-21(19(26)14-24(22)29)27-17-6-2-1-3-7-17/h1-15,26-27H/b26-19+
InChIKeyYDRBBCMFXLWVFT-LGUFXXKBSA-N
MW396.88 g/mol
LogP6.01
Rot. Bonds3

About 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine

5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine (PubChem CID 167732684) has the molecular formula C24H17ClN4 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine
PubChem CID167732684
Molecular FormulaC24H17ClN4
Molecular Weight396.88 g/mol
Exact Mass396.11
IUPAC Name5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine
SMILES[H]/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C24H17ClN4/c25-16-10-12-18(13-11-16)29-23-9-5-4-8-20(23)28-22-15-21(19(26)14-24(22)29)27-17-6-2-1-3-7-17/h1-15,26-27H/b26-19+
InChIKeyYDRBBCMFXLWVFT-LGUFXXKBSA-N
XLogP6.01
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine 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 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine (CID 167732684) is 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine is [H]/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine?
The InChIKey is YDRBBCMFXLWVFT-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H17ClN4/c25-16-10-12-18(13-11-16)29-23-9-5-4-8-20(23)28-22-15-21(19(26)14-24(22)29)27-17-6-2-1-3-7-17/h1-15,26-27H/b26-19+.
What are the key properties of 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine?
5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine has a molecular weight of 396.88 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-imino-N-phenylphenazin-2-amine is sourced from PubChem (CID 167732684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).