4aH-phenazin-5-ide

C12H9N2- — CID 140854536

IUPAC4aH-phenazin-5-ide
SMILESC1=CC2=Nc3ccccc3[N-]C2C=C1
InChIInChI=1S/C12H9N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-9H/q-1
InChIKeyDLPKKEUIZOQOSL-UHFFFAOYSA-N
MW181.22 g/mol
LogP3.27
Rot. Bonds

About 4aH-phenazin-5-ide

4aH-phenazin-5-ide (PubChem CID 140854536) has the molecular formula C12H9N2- and a molecular weight of 181.22 g/mol. Its IUPAC name is 4aH-phenazin-5-ide.

Molecular Properties

Compound Name4aH-phenazin-5-ide
PubChem CID140854536
Molecular FormulaC12H9N2-
Molecular Weight181.22 g/mol
Exact Mass181.08
IUPAC Name4aH-phenazin-5-ide
SMILESC1=CC2=Nc3ccccc3[N-]C2C=C1
InChIInChI=1S/C12H9N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-9H/q-1
InChIKeyDLPKKEUIZOQOSL-UHFFFAOYSA-N
XLogP3.27
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4aH-phenazin-5-ide?
The IUPAC name of 4aH-phenazin-5-ide (CID 140854536) is 4aH-phenazin-5-ide.
What is the SMILES notation for 4aH-phenazin-5-ide?
The canonical SMILES for 4aH-phenazin-5-ide is C1=CC2=Nc3ccccc3[N-]C2C=C1.
What is the InChIKey of 4aH-phenazin-5-ide?
The InChIKey is DLPKKEUIZOQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-9H/q-1.
What are the key properties of 4aH-phenazin-5-ide?
4aH-phenazin-5-ide has a molecular weight of 181.22 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-phenazin-5-ide is sourced from PubChem (CID 140854536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).