2,7-ditert-butylphenazine

C20H24N2 — CID 59610780

IUPAC2,7-ditert-butylphenazine
SMILESCC(C)(C)c1ccc2nc3cc(C(C)(C)C)ccc3nc2c1
InChIInChI=1S/C20H24N2/c1-19(2,3)13-7-9-15-17(11-13)21-16-10-8-14(20(4,5)6)12-18(16)22-15/h7-12H,1-6H3
InChIKeySNHKDMYMKOVVCO-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.38
Rot. Bonds

About 2,7-ditert-butylphenazine

2,7-ditert-butylphenazine (PubChem CID 59610780) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,7-ditert-butylphenazine.

Molecular Properties

Compound Name2,7-ditert-butylphenazine
PubChem CID59610780
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2,7-ditert-butylphenazine
SMILESCC(C)(C)c1ccc2nc3cc(C(C)(C)C)ccc3nc2c1
InChIInChI=1S/C20H24N2/c1-19(2,3)13-7-9-15-17(11-13)21-16-10-8-14(20(4,5)6)12-18(16)22-15/h7-12H,1-6H3
InChIKeySNHKDMYMKOVVCO-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,7-ditert-butylphenazine 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 2,7-ditert-butylphenazine?
The IUPAC name of 2,7-ditert-butylphenazine (CID 59610780) is 2,7-ditert-butylphenazine.
What is the SMILES notation for 2,7-ditert-butylphenazine?
The canonical SMILES for 2,7-ditert-butylphenazine is CC(C)(C)c1ccc2nc3cc(C(C)(C)C)ccc3nc2c1.
What is the InChIKey of 2,7-ditert-butylphenazine?
The InChIKey is SNHKDMYMKOVVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-19(2,3)13-7-9-15-17(11-13)21-16-10-8-14(20(4,5)6)12-18(16)22-15/h7-12H,1-6H3.
What are the key properties of 2,7-ditert-butylphenazine?
2,7-ditert-butylphenazine has a molecular weight of 292.43 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butylphenazine is sourced from PubChem (CID 59610780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).