2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline

C26H24N2Se2 — CID 10052449

IUPAC2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline
SMILESNc1ccc(Cc2ccccc2)cc1[Se][Se]c1cc(Cc2ccccc2)ccc1N
InChIInChI=1S/C26H24N2Se2/c27-23-13-11-21(15-19-7-3-1-4-8-19)17-25(23)29-30-26-18-22(12-14-24(26)28)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16,27-28H2
InChIKeyGJBKHATUOPGKFO-UHFFFAOYSA-N
MW522.41 g/mol
LogP3.31
Rot. Bonds7

About 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline

2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline (PubChem CID 10052449) has the molecular formula C26H24N2Se2 and a molecular weight of 522.41 g/mol. Its IUPAC name is 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline.

Molecular Properties

Compound Name2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline
PubChem CID10052449
Molecular FormulaC26H24N2Se2
Molecular Weight522.41 g/mol
Exact Mass524.03
IUPAC Name2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline
SMILESNc1ccc(Cc2ccccc2)cc1[Se][Se]c1cc(Cc2ccccc2)ccc1N
InChIInChI=1S/C26H24N2Se2/c27-23-13-11-21(15-19-7-3-1-4-8-19)17-25(23)29-30-26-18-22(12-14-24(26)28)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16,27-28H2
InChIKeyGJBKHATUOPGKFO-UHFFFAOYSA-N
XLogP3.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-benzylbenzoic acid
CID 23538086
5-benzyl-2-chloroaniline
CID 39243776
4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene
CID 173276275
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
CID 146637396
phenyl(113C)methylbenzene
CID 11194569
4-(4-benzylphenyl)-2-chloroaniline
CID 107607804
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
4-[(4-aminophenyl)methyl]benzene-1,2-diamine
CID 22022535
5-benzyl-2-nitroaniline
CID 166873369
2-benzylnaphthalene
CID 11948

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline?
The IUPAC name of 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline (CID 10052449) is 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline.
What is the SMILES notation for 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline?
The canonical SMILES for 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline is Nc1ccc(Cc2ccccc2)cc1[Se][Se]c1cc(Cc2ccccc2)ccc1N.
What is the InChIKey of 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline?
The InChIKey is GJBKHATUOPGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2Se2/c27-23-13-11-21(15-19-7-3-1-4-8-19)17-25(23)29-30-26-18-22(12-14-24(26)28)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16,27-28H2.
What are the key properties of 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline?
2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline has a molecular weight of 522.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline is sourced from PubChem (CID 10052449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).