5,10-dioxidophenazine-5,10-diium-1,6-diol

C12H8N2O4 — CID 135441735

IUPAC5,10-dioxidophenazine-5,10-diium-1,6-diol
SMILES[O-][n+]1c2cccc(O)c2[n+]([O-])c2cccc(O)c21
InChIInChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKeyNBMOVCYIGUDQJE-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.67
Rot. Bonds

About 5,10-dioxidophenazine-5,10-diium-1,6-diol

5,10-dioxidophenazine-5,10-diium-1,6-diol (PubChem CID 135441735) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5,10-dioxidophenazine-5,10-diium-1,6-diol.

Molecular Properties

Compound Name5,10-dioxidophenazine-5,10-diium-1,6-diol
PubChem CID135441735
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5,10-dioxidophenazine-5,10-diium-1,6-diol
SMILES[O-][n+]1c2cccc(O)c2[n+]([O-])c2cccc(O)c21
InChIInChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKeyNBMOVCYIGUDQJE-UHFFFAOYSA-N
XLogP0.67
TPSA94.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2-Hydroxyphenazine 5,10-Dioxide
CID 135403208
1,6-Dihydroxyphenazine
CID 135514780
Myxin
CID 135452479
2-Amino-3-hydroxyphenazine
CID 135408605
5-Quinoxalinol
CID 135690274
2-Hydroxyphenazine
CID 135441800
Phenazine, 1,6-dimethoxy-, 5-oxide
CID 15957526
1,6-Dimethoxyphenazine
CID 617641
6-Methoxyphenazin-1-ol
CID 135698454
2-Bromo-1-hydroxyphenazine
CID 136099274
1-Methoxyphenazine
CID 76137

Frequently Asked Questions

What is the IUPAC name of 5,10-dioxidophenazine-5,10-diium-1,6-diol?
The IUPAC name of 5,10-dioxidophenazine-5,10-diium-1,6-diol (CID 135441735) is 5,10-dioxidophenazine-5,10-diium-1,6-diol.
What is the SMILES notation for 5,10-dioxidophenazine-5,10-diium-1,6-diol?
The canonical SMILES for 5,10-dioxidophenazine-5,10-diium-1,6-diol is [O-][n+]1c2cccc(O)c2[n+]([O-])c2cccc(O)c21.
What is the InChIKey of 5,10-dioxidophenazine-5,10-diium-1,6-diol?
The InChIKey is NBMOVCYIGUDQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H.
What are the key properties of 5,10-dioxidophenazine-5,10-diium-1,6-diol?
5,10-dioxidophenazine-5,10-diium-1,6-diol has a molecular weight of 244.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dioxidophenazine-5,10-diium-1,6-diol is sourced from PubChem (CID 135441735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).