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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Related Compounds

5-hydroxy-10-methylbenzo[a]phenazine-6-carbaldehyde
CID 137224351
2-chloro-3-methylsulfanylnaphthalene-1,4-diol
CID 163407165
4-bromo-2-chlorophenazin-1-ol
CID 137126057
4-chloro-2-iodophenazin-1-ol
CID 137126053
6-chlorobenzo[h][1,2,4]benzotriazin-3-amine
CID 10681003
quinoxalino[2,3-b]phenazine-6,13-diol
CID 139171720
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
3-chloro-2-fluorophenanthren-1-ol;hydrochloride
CID 140974823
2-chlorophenanthren-1-ol
CID 88831797
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
CID 21256239
1,4-dichloronaphthalen-2-ol
CID 12578005

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).