4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione

C21H12N2O3 — CID 132512138

IUPAC4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione
SMILESO=c1oc(=O)c2c(ccc3nc4ccccc4[nH]c32)c1-c1ccccc1
InChIInChI=1S/C21H12N2O3/c24-20-17(12-6-2-1-3-7-12)13-10-11-16-19(18(13)21(25)26-20)23-15-9-5-4-8-14(15)22-16/h1-11,23H
InChIKeyFVMVRLBDHBBFPY-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.85
Rot. Bonds1

About 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione

4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione (PubChem CID 132512138) has the molecular formula C21H12N2O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione.

Molecular Properties

Compound Name4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione
PubChem CID132512138
Molecular FormulaC21H12N2O3
Molecular Weight340.34 g/mol
Exact Mass340.08
IUPAC Name4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione
SMILESO=c1oc(=O)c2c(ccc3nc4ccccc4[nH]c32)c1-c1ccccc1
InChIInChI=1S/C21H12N2O3/c24-20-17(12-6-2-1-3-7-12)13-10-11-16-19(18(13)21(25)26-20)23-15-9-5-4-8-14(15)22-16/h1-11,23H
InChIKeyFVMVRLBDHBBFPY-UHFFFAOYSA-N
XLogP3.85
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione?
The IUPAC name of 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione (CID 132512138) is 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione.
What is the SMILES notation for 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione?
The canonical SMILES for 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione is O=c1oc(=O)c2c(ccc3nc4ccccc4[nH]c32)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione?
The InChIKey is FVMVRLBDHBBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O3/c24-20-17(12-6-2-1-3-7-12)13-10-11-16-19(18(13)21(25)26-20)23-15-9-5-4-8-14(15)22-16/h1-11,23H.
What are the key properties of 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione?
4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione has a molecular weight of 340.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-12H-pyrano[3,4-a]phenazine-1,3-dione is sourced from PubChem (CID 132512138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).