benzo[a]phenazin-5-ol

C16H10N2O — CID 135480579

IUPACbenzo[a]phenazin-5-ol
SMILESOc1cc2nc3ccccc3nc2c2ccccc12
InChIInChI=1S/C16H10N2O/c19-15-9-14-16(11-6-2-1-5-10(11)15)18-13-8-4-3-7-12(13)17-14/h1-9,19H
InChIKeyWZBDRAAGHRCRKM-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.64
Rot. Bonds

About benzo[a]phenazin-5-ol

benzo[a]phenazin-5-ol (PubChem CID 135480579) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is benzo[a]phenazin-5-ol.

Molecular Properties

Compound Namebenzo[a]phenazin-5-ol
PubChem CID135480579
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Namebenzo[a]phenazin-5-ol
SMILESOc1cc2nc3ccccc3nc2c2ccccc12
InChIInChI=1S/C16H10N2O/c19-15-9-14-16(11-6-2-1-5-10(11)15)18-13-8-4-3-7-12(13)17-14/h1-9,19H
InChIKeyWZBDRAAGHRCRKM-UHFFFAOYSA-N
XLogP3.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[a]phenazin-5-ol?
The IUPAC name of benzo[a]phenazin-5-ol (CID 135480579) is benzo[a]phenazin-5-ol.
What is the SMILES notation for benzo[a]phenazin-5-ol?
The canonical SMILES for benzo[a]phenazin-5-ol is Oc1cc2nc3ccccc3nc2c2ccccc12.
What is the InChIKey of benzo[a]phenazin-5-ol?
The InChIKey is WZBDRAAGHRCRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c19-15-9-14-16(11-6-2-1-5-10(11)15)18-13-8-4-3-7-12(13)17-14/h1-9,19H.
What are the key properties of benzo[a]phenazin-5-ol?
benzo[a]phenazin-5-ol has a molecular weight of 246.27 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]phenazin-5-ol is sourced from PubChem (CID 135480579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).