diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate

C30H28N2Se2 — CID 86204980

IUPACdiphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
SMILESCc1cccc(C)c1/N=C([Se]c1ccccc1)/C(=N\c1c(C)cccc1C)[Se]c1ccccc1
InChIInChI=1S/C30H28N2Se2/c1-21-13-11-14-22(2)27(21)31-29(33-25-17-7-5-8-18-25)30(34-26-19-9-6-10-20-26)32-28-23(3)15-12-16-24(28)4/h5-20H,1-4H3/b31-29-,32-30+
InChIKeyWAWVJBRDGFBHCH-SNQKRLHOSA-N
MW574.49 g/mol
LogP5.74
Rot. Bonds7

About diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate

diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate (PubChem CID 86204980) has the molecular formula C30H28N2Se2 and a molecular weight of 574.49 g/mol. Its IUPAC name is diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate.

Molecular Properties

Compound Namediphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
PubChem CID86204980
Molecular FormulaC30H28N2Se2
Molecular Weight574.49 g/mol
Exact Mass576.06
IUPAC Namediphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
SMILESCc1cccc(C)c1/N=C([Se]c1ccccc1)/C(=N\c1c(C)cccc1C)[Se]c1ccccc1
InChIInChI=1S/C30H28N2Se2/c1-21-13-11-14-22(2)27(21)31-29(33-25-17-7-5-8-18-25)30(34-26-19-9-6-10-20-26)32-28-23(3)15-12-16-24(28)4/h5-20H,1-4H3/b31-29-,32-30+
InChIKeyWAWVJBRDGFBHCH-SNQKRLHOSA-N
XLogP5.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate 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 diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate?
The IUPAC name of diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate (CID 86204980) is diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate.
What is the SMILES notation for diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate?
The canonical SMILES for diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate is Cc1cccc(C)c1/N=C([Se]c1ccccc1)/C(=N\c1c(C)cccc1C)[Se]c1ccccc1.
What is the InChIKey of diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate?
The InChIKey is WAWVJBRDGFBHCH-SNQKRLHOSA-N. The full InChI is InChI=1S/C30H28N2Se2/c1-21-13-11-14-22(2)27(21)31-29(33-25-17-7-5-8-18-25)30(34-26-19-9-6-10-20-26)32-28-23(3)15-12-16-24(28)4/h5-20H,1-4H3/b31-29-,32-30+.
What are the key properties of diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate?
diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate has a molecular weight of 574.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate is sourced from PubChem (CID 86204980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).