8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one

C23H17NO2 — CID 88726516

IUPAC8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one
SMILESO=c1cc(OCc2ccccc2)c2c3ccccc3c3n(c-2c1)C=CC3
InChIInChI=1S/C23H17NO2/c25-17-13-21-23(22(14-17)26-15-16-7-2-1-3-8-16)19-10-5-4-9-18(19)20-11-6-12-24(20)21/h1-10,12-14H,11,15H2
InChIKeySVNSKATVHIMWMN-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.71
Rot. Bonds3

About 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one

8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one (PubChem CID 88726516) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one.

Molecular Properties

Compound Name8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one
PubChem CID88726516
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one
SMILESO=c1cc(OCc2ccccc2)c2c3ccccc3c3n(c-2c1)C=CC3
InChIInChI=1S/C23H17NO2/c25-17-13-21-23(22(14-17)26-15-16-7-2-1-3-8-16)19-10-5-4-9-18(19)20-11-6-12-24(20)21/h1-10,12-14H,11,15H2
InChIKeySVNSKATVHIMWMN-UHFFFAOYSA-N
XLogP4.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one?
The IUPAC name of 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one (CID 88726516) is 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one.
What is the SMILES notation for 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one?
The canonical SMILES for 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one is O=c1cc(OCc2ccccc2)c2c3ccccc3c3n(c-2c1)C=CC3.
What is the InChIKey of 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one?
The InChIKey is SVNSKATVHIMWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-17-13-21-23(22(14-17)26-15-16-7-2-1-3-8-16)19-10-5-4-9-18(19)20-11-6-12-24(20)21/h1-10,12-14H,11,15H2.
What are the key properties of 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one?
8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one has a molecular weight of 339.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one is sourced from PubChem (CID 88726516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).