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

C17H11NO3S — CID 53376163

IUPAC6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccsc3)c3c(c21)C(=O)C=CC3=O
InChIInChI=1S/C17H11NO3S/c19-11-3-1-2-10-14(11)15-12(20)4-5-13(21)16(15)17(18-10)9-6-7-22-8-9/h4-8H,1-3H2
InChIKeySPIBGKZWDJYVRJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.26
Rot. Bonds1

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

6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 53376163) has the molecular formula C17H11NO3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID53376163
Molecular FormulaC17H11NO3S
Molecular Weight309.35 g/mol
Exact Mass309.05
IUPAC Name6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESO=C1CCCc2nc(-c3ccsc3)c3c(c21)C(=O)C=CC3=O
InChIInChI=1S/C17H11NO3S/c19-11-3-1-2-10-14(11)15-12(20)4-5-13(21)16(15)17(18-10)9-6-7-22-8-9/h4-8H,1-3H2
InChIKeySPIBGKZWDJYVRJ-UHFFFAOYSA-N
XLogP3.26
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 53376163) is 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is O=C1CCCc2nc(-c3ccsc3)c3c(c21)C(=O)C=CC3=O.
What is the InChIKey of 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is SPIBGKZWDJYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S/c19-11-3-1-2-10-14(11)15-12(20)4-5-13(21)16(15)17(18-10)9-6-7-22-8-9/h4-8H,1-3H2.
What are the key properties of 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 309.35 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 53376163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).