6-(4-fluorophenyl)benzo[a]phenazin-5-ol

C22H13FN2O — CID 135419192

IUPAC6-(4-fluorophenyl)benzo[a]phenazin-5-ol
SMILESOc1c(-c2ccc(F)cc2)c2nc3ccccc3nc2c2ccccc12
InChIInChI=1S/C22H13FN2O/c23-14-11-9-13(10-12-14)19-21-20(15-5-1-2-6-16(15)22(19)26)24-17-7-3-4-8-18(17)25-21/h1-12,26H
InChIKeyPNAQJYYWTTZBAZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP5.45
Rot. Bonds1

About 6-(4-fluorophenyl)benzo[a]phenazin-5-ol

6-(4-fluorophenyl)benzo[a]phenazin-5-ol (PubChem CID 135419192) has the molecular formula C22H13FN2O and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)benzo[a]phenazin-5-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)benzo[a]phenazin-5-ol
PubChem CID135419192
Molecular FormulaC22H13FN2O
Molecular Weight340.36 g/mol
Exact Mass340.10
IUPAC Name6-(4-fluorophenyl)benzo[a]phenazin-5-ol
SMILESOc1c(-c2ccc(F)cc2)c2nc3ccccc3nc2c2ccccc12
InChIInChI=1S/C22H13FN2O/c23-14-11-9-13(10-12-14)19-21-20(15-5-1-2-6-16(15)22(19)26)24-17-7-3-4-8-18(17)25-21/h1-12,26H
InChIKeyPNAQJYYWTTZBAZ-UHFFFAOYSA-N
XLogP5.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.36
LogP ≤ 55.45
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 6-(4-fluorophenyl)benzo[a]phenazin-5-ol?
The IUPAC name of 6-(4-fluorophenyl)benzo[a]phenazin-5-ol (CID 135419192) is 6-(4-fluorophenyl)benzo[a]phenazin-5-ol.
What is the SMILES notation for 6-(4-fluorophenyl)benzo[a]phenazin-5-ol?
The canonical SMILES for 6-(4-fluorophenyl)benzo[a]phenazin-5-ol is Oc1c(-c2ccc(F)cc2)c2nc3ccccc3nc2c2ccccc12.
What is the InChIKey of 6-(4-fluorophenyl)benzo[a]phenazin-5-ol?
The InChIKey is PNAQJYYWTTZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN2O/c23-14-11-9-13(10-12-14)19-21-20(15-5-1-2-6-16(15)22(19)26)24-17-7-3-4-8-18(17)25-21/h1-12,26H.
What are the key properties of 6-(4-fluorophenyl)benzo[a]phenazin-5-ol?
6-(4-fluorophenyl)benzo[a]phenazin-5-ol has a molecular weight of 340.36 g/mol, XLogP of 5.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)benzo[a]phenazin-5-ol is sourced from PubChem (CID 135419192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).