10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione

C18H13N2O2+ — CID 101473479

IUPAC10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione
SMILESO=C1C=Cc2nc3c([n+](-c4ccccc4)c2C1)CC(=O)C=C3
InChIInChI=1S/C18H13N2O2/c21-13-6-8-15-17(10-13)20(12-4-2-1-3-5-12)18-11-14(22)7-9-16(18)19-15/h1-9H,10-11H2/q+1
InChIKeyBBUWFCJPGPORAY-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.64
Rot. Bonds1

About 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione

10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione (PubChem CID 101473479) has the molecular formula C18H13N2O2+ and a molecular weight of 289.31 g/mol. Its IUPAC name is 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione.

Molecular Properties

Compound Name10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione
PubChem CID101473479
Molecular FormulaC18H13N2O2+
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC Name10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione
SMILESO=C1C=Cc2nc3c([n+](-c4ccccc4)c2C1)CC(=O)C=C3
InChIInChI=1S/C18H13N2O2/c21-13-6-8-15-17(10-13)20(12-4-2-1-3-5-12)18-11-14(22)7-9-16(18)19-15/h1-9H,10-11H2/q+1
InChIKeyBBUWFCJPGPORAY-UHFFFAOYSA-N
XLogP1.64
TPSA50.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione?
The IUPAC name of 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione (CID 101473479) is 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione.
What is the SMILES notation for 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione?
The canonical SMILES for 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione is O=C1C=Cc2nc3c([n+](-c4ccccc4)c2C1)CC(=O)C=C3.
What is the InChIKey of 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione?
The InChIKey is BBUWFCJPGPORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N2O2/c21-13-6-8-15-17(10-13)20(12-4-2-1-3-5-12)18-11-14(22)7-9-16(18)19-15/h1-9H,10-11H2/q+1.
What are the key properties of 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione?
10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione has a molecular weight of 289.31 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-1,9-dihydrophenazin-10-ium-2,8-dione is sourced from PubChem (CID 101473479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).