2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide

C20H12N4O2Se2 — CID 161262643

IUPAC2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide
SMILESN#Cc1[se]c(C#N)c2ccccc12.NC(=O)c1[se]c(C(N)=O)c2ccccc12
InChIInChI=1S/C10H8N2O2Se.C10H4N2Se/c11-9(13)7-5-3-1-2-4-6(5)8(15-7)10(12)14;11-5-9-7-3-1-2-4-8(7)10(6-12)13-9/h1-4H,(H2,11,13)(H2,12,14);1-4H
InChIKeyVCTKTGYVULQERU-UHFFFAOYSA-N
MW498.26 g/mol
LogP1.73
Rot. Bonds2

About 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide

2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide (PubChem CID 161262643) has the molecular formula C20H12N4O2Se2 and a molecular weight of 498.26 g/mol. Its IUPAC name is 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide
PubChem CID161262643
Molecular FormulaC20H12N4O2Se2
Molecular Weight498.26 g/mol
Exact Mass499.93
IUPAC Name2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide
SMILESN#Cc1[se]c(C#N)c2ccccc12.NC(=O)c1[se]c(C(N)=O)c2ccccc12
InChIInChI=1S/C10H8N2O2Se.C10H4N2Se/c11-9(13)7-5-3-1-2-4-6(5)8(15-7)10(12)14;11-5-9-7-3-1-2-4-8(7)10(6-12)13-9/h1-4H,(H2,11,13)(H2,12,14);1-4H
InChIKeyVCTKTGYVULQERU-UHFFFAOYSA-N
XLogP1.73
TPSA133.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide?
The IUPAC name of 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide (CID 161262643) is 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide.
What is the SMILES notation for 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide?
The canonical SMILES for 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide is N#Cc1[se]c(C#N)c2ccccc12.NC(=O)c1[se]c(C(N)=O)c2ccccc12.
What is the InChIKey of 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide?
The InChIKey is VCTKTGYVULQERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2Se.C10H4N2Se/c11-9(13)7-5-3-1-2-4-6(5)8(15-7)10(12)14;11-5-9-7-3-1-2-4-8(7)10(6-12)13-9/h1-4H,(H2,11,13)(H2,12,14);1-4H.
What are the key properties of 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide?
2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide has a molecular weight of 498.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoselenophene-1,3-dicarbonitrile;2-benzoselenophene-1,3-dicarboxamide is sourced from PubChem (CID 161262643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).