benzo[a]phenazin-9-yl(phenyl)methanone

C23H14N2O — CID 57411317

IUPACbenzo[a]phenazin-9-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc3c(ccc4ccccc43)nc2c1
InChIInChI=1S/C23H14N2O/c26-23(16-7-2-1-3-8-16)17-11-12-19-21(14-17)24-20-13-10-15-6-4-5-9-18(15)22(20)25-19/h1-14H
InChIKeyARHDMNPTPSICFA-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.17
Rot. Bonds2

About benzo[a]phenazin-9-yl(phenyl)methanone

benzo[a]phenazin-9-yl(phenyl)methanone (PubChem CID 57411317) has the molecular formula C23H14N2O and a molecular weight of 334.38 g/mol. Its IUPAC name is benzo[a]phenazin-9-yl(phenyl)methanone.

Molecular Properties

Compound Namebenzo[a]phenazin-9-yl(phenyl)methanone
PubChem CID57411317
Molecular FormulaC23H14N2O
Molecular Weight334.38 g/mol
Exact Mass334.11
IUPAC Namebenzo[a]phenazin-9-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc3c(ccc4ccccc43)nc2c1
InChIInChI=1S/C23H14N2O/c26-23(16-7-2-1-3-8-16)17-11-12-19-21(14-17)24-20-13-10-15-6-4-5-9-18(15)22(20)25-19/h1-14H
InChIKeyARHDMNPTPSICFA-UHFFFAOYSA-N
XLogP5.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
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 benzo[a]phenazin-9-yl(phenyl)methanone?
The IUPAC name of benzo[a]phenazin-9-yl(phenyl)methanone (CID 57411317) is benzo[a]phenazin-9-yl(phenyl)methanone.
What is the SMILES notation for benzo[a]phenazin-9-yl(phenyl)methanone?
The canonical SMILES for benzo[a]phenazin-9-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2nc3c(ccc4ccccc43)nc2c1.
What is the InChIKey of benzo[a]phenazin-9-yl(phenyl)methanone?
The InChIKey is ARHDMNPTPSICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O/c26-23(16-7-2-1-3-8-16)17-11-12-19-21(14-17)24-20-13-10-15-6-4-5-9-18(15)22(20)25-19/h1-14H.
What are the key properties of benzo[a]phenazin-9-yl(phenyl)methanone?
benzo[a]phenazin-9-yl(phenyl)methanone has a molecular weight of 334.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]phenazin-9-yl(phenyl)methanone is sourced from PubChem (CID 57411317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).