2,3-dimethylphenazine

C14H12N2 — CID 24721598

IUPAC2,3-dimethylphenazine
SMILESCc1cc2nc3ccccc3nc2cc1C
InChIInChI=1S/C14H12N2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13/h3-8H,1-2H3
InChIKeyAXTJIDAKPWEJCR-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.40
Rot. Bonds

About 2,3-dimethylphenazine

2,3-dimethylphenazine (PubChem CID 24721598) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,3-dimethylphenazine.

Molecular Properties

Compound Name2,3-dimethylphenazine
PubChem CID24721598
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2,3-dimethylphenazine
SMILESCc1cc2nc3ccccc3nc2cc1C
InChIInChI=1S/C14H12N2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13/h3-8H,1-2H3
InChIKeyAXTJIDAKPWEJCR-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.40
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 2,3-dimethylphenazine?
The IUPAC name of 2,3-dimethylphenazine (CID 24721598) is 2,3-dimethylphenazine.
What is the SMILES notation for 2,3-dimethylphenazine?
The canonical SMILES for 2,3-dimethylphenazine is Cc1cc2nc3ccccc3nc2cc1C.
What is the InChIKey of 2,3-dimethylphenazine?
The InChIKey is AXTJIDAKPWEJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13/h3-8H,1-2H3.
What are the key properties of 2,3-dimethylphenazine?
2,3-dimethylphenazine has a molecular weight of 208.26 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylphenazine is sourced from PubChem (CID 24721598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).