6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

C19H13NO3 — CID 53376161

IUPAC6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccccc3)c3c(c21)C(=O)C=CC3=O
InChIInChI=1S/C19H13NO3/c21-13-8-4-7-12-16(13)17-14(22)9-10-15(23)18(17)19(20-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChIKeyYZKZSIKVHTVQSQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.20
Rot. Bonds1

About 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 53376161) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID53376161
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccccc3)c3c(c21)C(=O)C=CC3=O
InChIInChI=1S/C19H13NO3/c21-13-8-4-7-12-16(13)17-14(22)9-10-15(23)18(17)19(20-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChIKeyYZKZSIKVHTVQSQ-UHFFFAOYSA-N
XLogP3.20
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 53376161) is 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is O=C1CCCc2nc(-c3ccccc3)c3c(c21)C(=O)C=CC3=O.
What is the InChIKey of 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is YZKZSIKVHTVQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-13-8-4-7-12-16(13)17-14(22)9-10-15(23)18(17)19(20-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 303.32 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 53376161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).