1-(4-methoxyphenyl)phenazine;hydroiodide

C19H15IN2O — CID 173398535

IUPAC1-(4-methoxyphenyl)phenazine;hydroiodide
SMILESCOc1ccc(-c2cccc3nc4ccccc4nc23)cc1.I
InChIInChI=1S/C19H14N2O.HI/c1-22-14-11-9-13(10-12-14)15-5-4-8-18-19(15)21-17-7-3-2-6-16(17)20-18;/h2-12H,1H3;1H
InChIKeyBUSDRHFMTJIEHL-UHFFFAOYSA-N
MW414.25 g/mol
LogP5.08
Rot. Bonds2

About 1-(4-methoxyphenyl)phenazine;hydroiodide

1-(4-methoxyphenyl)phenazine;hydroiodide (PubChem CID 173398535) has the molecular formula C19H15IN2O and a molecular weight of 414.25 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)phenazine;hydroiodide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)phenazine;hydroiodide
PubChem CID173398535
Molecular FormulaC19H15IN2O
Molecular Weight414.25 g/mol
Exact Mass414.02
IUPAC Name1-(4-methoxyphenyl)phenazine;hydroiodide
SMILESCOc1ccc(-c2cccc3nc4ccccc4nc23)cc1.I
InChIInChI=1S/C19H14N2O.HI/c1-22-14-11-9-13(10-12-14)15-5-4-8-18-19(15)21-17-7-3-2-6-16(17)20-18;/h2-12H,1H3;1H
InChIKeyBUSDRHFMTJIEHL-UHFFFAOYSA-N
XLogP5.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.25
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)phenazine;hydroiodide?
The IUPAC name of 1-(4-methoxyphenyl)phenazine;hydroiodide (CID 173398535) is 1-(4-methoxyphenyl)phenazine;hydroiodide.
What is the SMILES notation for 1-(4-methoxyphenyl)phenazine;hydroiodide?
The canonical SMILES for 1-(4-methoxyphenyl)phenazine;hydroiodide is COc1ccc(-c2cccc3nc4ccccc4nc23)cc1.I.
What is the InChIKey of 1-(4-methoxyphenyl)phenazine;hydroiodide?
The InChIKey is BUSDRHFMTJIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O.HI/c1-22-14-11-9-13(10-12-14)15-5-4-8-18-19(15)21-17-7-3-2-6-16(17)20-18;/h2-12H,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)phenazine;hydroiodide?
1-(4-methoxyphenyl)phenazine;hydroiodide has a molecular weight of 414.25 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)phenazine;hydroiodide is sourced from PubChem (CID 173398535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).