phenazine-2,3,7,8-tetracarboxylic acid

C16H8N2O8 — CID 22152551

IUPACphenazine-2,3,7,8-tetracarboxylic acid
SMILESO=C(O)c1cc2nc3cc(C(=O)O)c(C(=O)O)cc3nc2cc1C(=O)O
InChIInChI=1S/C16H8N2O8/c19-13(20)5-1-9-10(2-6(5)14(21)22)18-12-4-8(16(25)26)7(15(23)24)3-11(12)17-9/h1-4H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyKLZPHUNQVNCGDD-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.58
Rot. Bonds4

About phenazine-2,3,7,8-tetracarboxylic acid

phenazine-2,3,7,8-tetracarboxylic acid (PubChem CID 22152551) has the molecular formula C16H8N2O8 and a molecular weight of 356.25 g/mol. Its IUPAC name is phenazine-2,3,7,8-tetracarboxylic acid.

Molecular Properties

Compound Namephenazine-2,3,7,8-tetracarboxylic acid
PubChem CID22152551
Molecular FormulaC16H8N2O8
Molecular Weight356.25 g/mol
Exact Mass356.03
IUPAC Namephenazine-2,3,7,8-tetracarboxylic acid
SMILESO=C(O)c1cc2nc3cc(C(=O)O)c(C(=O)O)cc3nc2cc1C(=O)O
InChIInChI=1S/C16H8N2O8/c19-13(20)5-1-9-10(2-6(5)14(21)22)18-12-4-8(16(25)26)7(15(23)24)3-11(12)17-9/h1-4H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyKLZPHUNQVNCGDD-UHFFFAOYSA-N
XLogP1.58
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 phenazine-2,3,7,8-tetracarboxylic acid?
The IUPAC name of phenazine-2,3,7,8-tetracarboxylic acid (CID 22152551) is phenazine-2,3,7,8-tetracarboxylic acid.
What is the SMILES notation for phenazine-2,3,7,8-tetracarboxylic acid?
The canonical SMILES for phenazine-2,3,7,8-tetracarboxylic acid is O=C(O)c1cc2nc3cc(C(=O)O)c(C(=O)O)cc3nc2cc1C(=O)O.
What is the InChIKey of phenazine-2,3,7,8-tetracarboxylic acid?
The InChIKey is KLZPHUNQVNCGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O8/c19-13(20)5-1-9-10(2-6(5)14(21)22)18-12-4-8(16(25)26)7(15(23)24)3-11(12)17-9/h1-4H,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of phenazine-2,3,7,8-tetracarboxylic acid?
phenazine-2,3,7,8-tetracarboxylic acid has a molecular weight of 356.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-2,3,7,8-tetracarboxylic acid is sourced from PubChem (CID 22152551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).