1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine

C23H26N2O2 — CID 73056209

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine
SMILESCOc1cccc2nc3c(OC/C=C(\C)CCC=C(C)C)cccc3nc12
InChIInChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3/b17-14+
InChIKeyAYBXOQNDOSRELU-SAPNQHFASA-N
MW362.47 g/mol
LogP5.86
Rot. Bonds7

About 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine

1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine (PubChem CID 73056209) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine
PubChem CID73056209
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine
SMILESCOc1cccc2nc3c(OC/C=C(\C)CCC=C(C)C)cccc3nc12
InChIInChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3/b17-14+
InChIKeyAYBXOQNDOSRELU-SAPNQHFASA-N
XLogP5.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-Dihydroxyphenazine
CID 135514780
2-Methoxyphenazine
CID 235279
Myxin
CID 135452479
Phenazine, 1,6-dimethoxy-, 5-oxide
CID 15957526
1,6-Dimethoxyphenazine
CID 617641
6-Methoxyphenazin-1-ol
CID 135698454
Phenazine, 2-methoxy-, 10-oxide
CID 137753
2-Methoxyphenazin-1-amine
CID 610995
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
1-Methoxyphenazine
CID 76137
N-[3-(2-quinoxalinyloxy)phenyl]acetamide
CID 1473208
1-Methoxy-7,8-dimethylphenazine
CID 372186

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine (CID 73056209) is 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine is COc1cccc2nc3c(OC/C=C(\C)CCC=C(C)C)cccc3nc12.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine?
The InChIKey is AYBXOQNDOSRELU-SAPNQHFASA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3/b17-14+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine?
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine has a molecular weight of 362.47 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxyphenazine is sourced from PubChem (CID 73056209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).