2-tert-butylphenazine

C16H16N2 — CID 20815659

IUPAC2-tert-butylphenazine
SMILESCC(C)(C)c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C16H16N2/c1-16(2,3)11-8-9-14-15(10-11)18-13-7-5-4-6-12(13)17-14/h4-10H,1-3H3
InChIKeyJKLUDZXFJBAXRF-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.08
Rot. Bonds

About 2-tert-butylphenazine

2-tert-butylphenazine (PubChem CID 20815659) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-tert-butylphenazine.

Molecular Properties

Compound Name2-tert-butylphenazine
PubChem CID20815659
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-tert-butylphenazine
SMILESCC(C)(C)c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C16H16N2/c1-16(2,3)11-8-9-14-15(10-11)18-13-7-5-4-6-12(13)17-14/h4-10H,1-3H3
InChIKeyJKLUDZXFJBAXRF-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.08
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-tert-butylphenazine?
The IUPAC name of 2-tert-butylphenazine (CID 20815659) is 2-tert-butylphenazine.
What is the SMILES notation for 2-tert-butylphenazine?
The canonical SMILES for 2-tert-butylphenazine is CC(C)(C)c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of 2-tert-butylphenazine?
The InChIKey is JKLUDZXFJBAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-16(2,3)11-8-9-14-15(10-11)18-13-7-5-4-6-12(13)17-14/h4-10H,1-3H3.
What are the key properties of 2-tert-butylphenazine?
2-tert-butylphenazine has a molecular weight of 236.32 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylphenazine is sourced from PubChem (CID 20815659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).