bis(pentanedioic acid);phenazine

C22H24N2O8 — CID 139195560

IUPACbis(pentanedioic acid);phenazine
SMILESO=C(O)CCCC(=O)O.O=C(O)CCCC(=O)O.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.2C5H8O4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*6-4(7)2-1-3-5(8)9/h1-8H;2*1-3H2,(H,6,7)(H,8,9)
InChIKeyNDGSFPDGCGEKQD-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.43
Rot. Bonds8

About bis(pentanedioic acid);phenazine

bis(pentanedioic acid);phenazine (PubChem CID 139195560) has the molecular formula C22H24N2O8 and a molecular weight of 444.44 g/mol. Its IUPAC name is bis(pentanedioic acid);phenazine.

Molecular Properties

Compound Namebis(pentanedioic acid);phenazine
PubChem CID139195560
Molecular FormulaC22H24N2O8
Molecular Weight444.44 g/mol
Exact Mass444.15
IUPAC Namebis(pentanedioic acid);phenazine
SMILESO=C(O)CCCC(=O)O.O=C(O)CCCC(=O)O.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.2C5H8O4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*6-4(7)2-1-3-5(8)9/h1-8H;2*1-3H2,(H,6,7)(H,8,9)
InChIKeyNDGSFPDGCGEKQD-UHFFFAOYSA-N
XLogP3.43
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(pentanedioic acid);phenazine 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 bis(pentanedioic acid);phenazine?
The IUPAC name of bis(pentanedioic acid);phenazine (CID 139195560) is bis(pentanedioic acid);phenazine.
What is the SMILES notation for bis(pentanedioic acid);phenazine?
The canonical SMILES for bis(pentanedioic acid);phenazine is O=C(O)CCCC(=O)O.O=C(O)CCCC(=O)O.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of bis(pentanedioic acid);phenazine?
The InChIKey is NDGSFPDGCGEKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.2C5H8O4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*6-4(7)2-1-3-5(8)9/h1-8H;2*1-3H2,(H,6,7)(H,8,9).
What are the key properties of bis(pentanedioic acid);phenazine?
bis(pentanedioic acid);phenazine has a molecular weight of 444.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pentanedioic acid);phenazine is sourced from PubChem (CID 139195560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).