5,10-dioxidophenazine-5,10-diium-2-ol

C12H8N2O3 — CID 135403208

IUPAC5,10-dioxidophenazine-5,10-diium-2-ol
SMILES[O-][n+]1c2ccccc2[n+]([O-])c2cc(O)ccc21
InChIInChI=1S/C12H8N2O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKeyBMYLMFASUBJXBU-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.97
Rot. Bonds

About 5,10-dioxidophenazine-5,10-diium-2-ol

5,10-dioxidophenazine-5,10-diium-2-ol (PubChem CID 135403208) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5,10-dioxidophenazine-5,10-diium-2-ol.

Molecular Properties

Compound Name5,10-dioxidophenazine-5,10-diium-2-ol
PubChem CID135403208
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name5,10-dioxidophenazine-5,10-diium-2-ol
SMILES[O-][n+]1c2ccccc2[n+]([O-])c2cc(O)ccc21
InChIInChI=1S/C12H8N2O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKeyBMYLMFASUBJXBU-UHFFFAOYSA-N
XLogP0.97
TPSA74.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Phenazinol
CID 135412648
1,6-Dihydroxyphenazine
CID 135514780
2-Methoxyphenazine
CID 235279
Myxin
CID 135452479
2-Amino-3-hydroxyphenazine
CID 135408605
Iodinin
CID 135441735
2-Hydroxyphenazine
CID 135441800
6-Quinoxalinol
CID 135420609
Phenazine, 2-methoxy-, 10-oxide
CID 137753
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
5-Methylphenazin-10-ium-1-one
CID 135495419
2,3-Dichloro-7-hydroxyphenazine5,10-dioxide
CID 136032536

Frequently Asked Questions

What is the IUPAC name of 5,10-dioxidophenazine-5,10-diium-2-ol?
The IUPAC name of 5,10-dioxidophenazine-5,10-diium-2-ol (CID 135403208) is 5,10-dioxidophenazine-5,10-diium-2-ol.
What is the SMILES notation for 5,10-dioxidophenazine-5,10-diium-2-ol?
The canonical SMILES for 5,10-dioxidophenazine-5,10-diium-2-ol is [O-][n+]1c2ccccc2[n+]([O-])c2cc(O)ccc21.
What is the InChIKey of 5,10-dioxidophenazine-5,10-diium-2-ol?
The InChIKey is BMYLMFASUBJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H.
What are the key properties of 5,10-dioxidophenazine-5,10-diium-2-ol?
5,10-dioxidophenazine-5,10-diium-2-ol has a molecular weight of 228.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dioxidophenazine-5,10-diium-2-ol is sourced from PubChem (CID 135403208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).