N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide

C26H18N2O2 — CID 152653649

IUPACN-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)[nH]c(=O)c1ccccc12)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H18N2O2/c29-25(22-12-6-4-10-19(22)17-8-2-1-3-9-17)27-18-14-15-21-20-11-5-7-13-23(20)26(30)28-24(21)16-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyZIBOBFDFYSBTBD-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.60
Rot. Bonds3

About N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide

N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide (PubChem CID 152653649) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide
PubChem CID152653649
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC NameN-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)[nH]c(=O)c1ccccc12)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H18N2O2/c29-25(22-12-6-4-10-19(22)17-8-2-1-3-9-17)27-18-14-15-21-20-11-5-7-13-23(20)26(30)28-24(21)16-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyZIBOBFDFYSBTBD-UHFFFAOYSA-N
XLogP5.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide?
The IUPAC name of N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide (CID 152653649) is N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide.
What is the SMILES notation for N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide?
The canonical SMILES for N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide is O=C(Nc1ccc2c(c1)[nH]c(=O)c1ccccc12)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide?
The InChIKey is ZIBOBFDFYSBTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c29-25(22-12-6-4-10-19(22)17-8-2-1-3-9-17)27-18-14-15-21-20-11-5-7-13-23(20)26(30)28-24(21)16-18/h1-16H,(H,27,29)(H,28,30).
What are the key properties of N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide?
N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5H-phenanthridin-3-yl)-2-phenylbenzamide is sourced from PubChem (CID 152653649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).