1-phenyl-4-thiophen-3-ylphthalazine

C18H12N2S — CID 59868608

IUPAC1-phenyl-4-thiophen-3-ylphthalazine
SMILESc1ccc(-c2nnc(-c3ccsc3)c3ccccc23)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-15-8-4-5-9-16(15)18(20-19-17)14-10-11-21-12-14/h1-12H
InChIKeyLTGOOLGTYHPYDS-UHFFFAOYSA-N
MW288.38 g/mol
LogP5.03
Rot. Bonds2

About 1-phenyl-4-thiophen-3-ylphthalazine

1-phenyl-4-thiophen-3-ylphthalazine (PubChem CID 59868608) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-phenyl-4-thiophen-3-ylphthalazine.

Molecular Properties

Compound Name1-phenyl-4-thiophen-3-ylphthalazine
PubChem CID59868608
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name1-phenyl-4-thiophen-3-ylphthalazine
SMILESc1ccc(-c2nnc(-c3ccsc3)c3ccccc23)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-15-8-4-5-9-16(15)18(20-19-17)14-10-11-21-12-14/h1-12H
InChIKeyLTGOOLGTYHPYDS-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-thiophen-3-ylphthalazine?
The IUPAC name of 1-phenyl-4-thiophen-3-ylphthalazine (CID 59868608) is 1-phenyl-4-thiophen-3-ylphthalazine.
What is the SMILES notation for 1-phenyl-4-thiophen-3-ylphthalazine?
The canonical SMILES for 1-phenyl-4-thiophen-3-ylphthalazine is c1ccc(-c2nnc(-c3ccsc3)c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-4-thiophen-3-ylphthalazine?
The InChIKey is LTGOOLGTYHPYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-15-8-4-5-9-16(15)18(20-19-17)14-10-11-21-12-14/h1-12H.
What are the key properties of 1-phenyl-4-thiophen-3-ylphthalazine?
1-phenyl-4-thiophen-3-ylphthalazine has a molecular weight of 288.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-thiophen-3-ylphthalazine is sourced from PubChem (CID 59868608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).