6,9,10-trichlorobenzo[a]phenazin-5-ol

C16H7Cl3N2O — CID 137098744

IUPAC6,9,10-trichlorobenzo[a]phenazin-5-ol
SMILESOc1c(Cl)c2nc3cc(Cl)c(Cl)cc3nc2c2ccccc12
InChIInChI=1S/C16H7Cl3N2O/c17-9-5-11-12(6-10(9)18)21-15-13(19)16(22)8-4-2-1-3-7(8)14(15)20-11/h1-6,22H
InChIKeyLDYBCLILZZWJGJ-UHFFFAOYSA-N
MW349.60 g/mol
LogP5.60
Rot. Bonds

About 6,9,10-trichlorobenzo[a]phenazin-5-ol

6,9,10-trichlorobenzo[a]phenazin-5-ol (PubChem CID 137098744) has the molecular formula C16H7Cl3N2O and a molecular weight of 349.60 g/mol. Its IUPAC name is 6,9,10-trichlorobenzo[a]phenazin-5-ol.

Molecular Properties

Compound Name6,9,10-trichlorobenzo[a]phenazin-5-ol
PubChem CID137098744
Molecular FormulaC16H7Cl3N2O
Molecular Weight349.60 g/mol
Exact Mass347.96
IUPAC Name6,9,10-trichlorobenzo[a]phenazin-5-ol
SMILESOc1c(Cl)c2nc3cc(Cl)c(Cl)cc3nc2c2ccccc12
InChIInChI=1S/C16H7Cl3N2O/c17-9-5-11-12(6-10(9)18)21-15-13(19)16(22)8-4-2-1-3-7(8)14(15)20-11/h1-6,22H
InChIKeyLDYBCLILZZWJGJ-UHFFFAOYSA-N
XLogP5.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 55.60
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 6,9,10-trichlorobenzo[a]phenazin-5-ol?
The IUPAC name of 6,9,10-trichlorobenzo[a]phenazin-5-ol (CID 137098744) is 6,9,10-trichlorobenzo[a]phenazin-5-ol.
What is the SMILES notation for 6,9,10-trichlorobenzo[a]phenazin-5-ol?
The canonical SMILES for 6,9,10-trichlorobenzo[a]phenazin-5-ol is Oc1c(Cl)c2nc3cc(Cl)c(Cl)cc3nc2c2ccccc12.
What is the InChIKey of 6,9,10-trichlorobenzo[a]phenazin-5-ol?
The InChIKey is LDYBCLILZZWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl3N2O/c17-9-5-11-12(6-10(9)18)21-15-13(19)16(22)8-4-2-1-3-7(8)14(15)20-11/h1-6,22H.
What are the key properties of 6,9,10-trichlorobenzo[a]phenazin-5-ol?
6,9,10-trichlorobenzo[a]phenazin-5-ol has a molecular weight of 349.60 g/mol, XLogP of 5.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10-trichlorobenzo[a]phenazin-5-ol is sourced from PubChem (CID 137098744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).