1-(2-chlorophenyl)phenazine

C18H11ClN2 — CID 175026808

IUPAC1-(2-chlorophenyl)phenazine
SMILESClc1ccccc1-c1cccc2nc3ccccc3nc12
InChIInChI=1S/C18H11ClN2/c19-14-8-2-1-6-12(14)13-7-5-11-17-18(13)21-16-10-4-3-9-15(16)20-17/h1-11H
InChIKeyRENGIAWBNJNTNT-UHFFFAOYSA-N
MW290.75 g/mol
LogP5.10
Rot. Bonds1

About 1-(2-chlorophenyl)phenazine

1-(2-chlorophenyl)phenazine (PubChem CID 175026808) has the molecular formula C18H11ClN2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)phenazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)phenazine
PubChem CID175026808
Molecular FormulaC18H11ClN2
Molecular Weight290.75 g/mol
Exact Mass290.06
IUPAC Name1-(2-chlorophenyl)phenazine
SMILESClc1ccccc1-c1cccc2nc3ccccc3nc12
InChIInChI=1S/C18H11ClN2/c19-14-8-2-1-6-12(14)13-7-5-11-17-18(13)21-16-10-4-3-9-15(16)20-17/h1-11H
InChIKeyRENGIAWBNJNTNT-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.75
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)phenazine?
The IUPAC name of 1-(2-chlorophenyl)phenazine (CID 175026808) is 1-(2-chlorophenyl)phenazine.
What is the SMILES notation for 1-(2-chlorophenyl)phenazine?
The canonical SMILES for 1-(2-chlorophenyl)phenazine is Clc1ccccc1-c1cccc2nc3ccccc3nc12.
What is the InChIKey of 1-(2-chlorophenyl)phenazine?
The InChIKey is RENGIAWBNJNTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2/c19-14-8-2-1-6-12(14)13-7-5-11-17-18(13)21-16-10-4-3-9-15(16)20-17/h1-11H.
What are the key properties of 1-(2-chlorophenyl)phenazine?
1-(2-chlorophenyl)phenazine has a molecular weight of 290.75 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)phenazine is sourced from PubChem (CID 175026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).