1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol

C32H18N4O2 — CID 136911100

IUPAC1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol
SMILESOc1ccc2ccc3nc4ccccc4nc3c2c1-c1c(O)ccc2ccc3nc4ccccc4nc3c12
InChIInChI=1S/C32H18N4O2/c37-25-15-11-17-9-13-23-31(35-21-7-3-1-5-19(21)33-23)27(17)29(25)30-26(38)16-12-18-10-14-24-32(28(18)30)36-22-8-4-2-6-20(22)34-24/h1-16,37-38H
InChIKeyZTYVEVJDLCUYRI-UHFFFAOYSA-N
MW490.52 g/mol
LogP7.26
Rot. Bonds1

About 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol

1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol (PubChem CID 136911100) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol.

Molecular Properties

Compound Name1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol
PubChem CID136911100
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol
SMILESOc1ccc2ccc3nc4ccccc4nc3c2c1-c1c(O)ccc2ccc3nc4ccccc4nc3c12
InChIInChI=1S/C32H18N4O2/c37-25-15-11-17-9-13-23-31(35-21-7-3-1-5-19(21)33-23)27(17)29(25)30-26(38)16-12-18-10-14-24-32(28(18)30)36-22-8-4-2-6-20(22)34-24/h1-16,37-38H
InChIKeyZTYVEVJDLCUYRI-UHFFFAOYSA-N
XLogP7.26
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(2-hydroxy-9,10-dimethylbenzo[a]phenazin-1-yl)-9,10-dimethylbenzo[a]phenazin-2-ol
CID 136911102
1-aminophenazin-2-ol
CID 136672277
quinoxalino[2,3-b]phenazine-6,13-diol
CID 139171720
phenazin-1-ylmethanediol
CID 130468741
phenazine-1,2,3-triol
CID 163378643
8-methylphenazin-1-ol
CID 137287576
hydron;phenazine
CID 175446889
phenazine;silver
CID 175026023
3,4-dimethylphenazin-2-ol
CID 136700372
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331
benzo[e]pyrene;phenazine
CID 174928113
8-methoxyphenazin-1-ol
CID 138967481

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol?
The IUPAC name of 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol (CID 136911100) is 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol.
What is the SMILES notation for 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol?
The canonical SMILES for 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol is Oc1ccc2ccc3nc4ccccc4nc3c2c1-c1c(O)ccc2ccc3nc4ccccc4nc3c12.
What is the InChIKey of 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol?
The InChIKey is ZTYVEVJDLCUYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c37-25-15-11-17-9-13-23-31(35-21-7-3-1-5-19(21)33-23)27(17)29(25)30-26(38)16-12-18-10-14-24-32(28(18)30)36-22-8-4-2-6-20(22)34-24/h1-16,37-38H.
What are the key properties of 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol?
1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol has a molecular weight of 490.52 g/mol, XLogP of 7.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybenzo[a]phenazin-1-yl)benzo[a]phenazin-2-ol is sourced from PubChem (CID 136911100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).