dibenzoselenophen-1-amine

C12H9NSe — CID 164938107

IUPACdibenzoselenophen-1-amine
SMILESNc1cccc2[se]c3ccccc3c12
InChIInChI=1S/C12H9NSe/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2
InChIKeyJQOMALBWDOITQL-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.63
Rot. Bonds

About dibenzoselenophen-1-amine

dibenzoselenophen-1-amine (PubChem CID 164938107) has the molecular formula C12H9NSe and a molecular weight of 246.17 g/mol. Its IUPAC name is dibenzoselenophen-1-amine.

Molecular Properties

Compound Namedibenzoselenophen-1-amine
PubChem CID164938107
Molecular FormulaC12H9NSe
Molecular Weight246.17 g/mol
Exact Mass246.99
IUPAC Namedibenzoselenophen-1-amine
SMILESNc1cccc2[se]c3ccccc3c12
InChIInChI=1S/C12H9NSe/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2
InChIKeyJQOMALBWDOITQL-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenylen-1-amine
CID 11139339
ethyl dibenzoselenophene-1-carboxylate
CID 86218892
1-methylselenoxanthen-9-one
CID 154714839
CID 135259743
CID 135259743
9-anthracen-9-ylanthracen-1-amine
CID 139789956
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
9-methylanthracen-1-amine
CID 23131270
ethane;naphthalene-1,8-diamine
CID 90905453
molecular iodine;selenoxanthen-9-one
CID 134913960
dichloromethane;naphthalen-1-amine
CID 174958204
diazene;naphthalen-1-amine
CID 142081772
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330

Frequently Asked Questions

What is the IUPAC name of dibenzoselenophen-1-amine?
The IUPAC name of dibenzoselenophen-1-amine (CID 164938107) is dibenzoselenophen-1-amine.
What is the SMILES notation for dibenzoselenophen-1-amine?
The canonical SMILES for dibenzoselenophen-1-amine is Nc1cccc2[se]c3ccccc3c12.
What is the InChIKey of dibenzoselenophen-1-amine?
The InChIKey is JQOMALBWDOITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NSe/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,13H2.
What are the key properties of dibenzoselenophen-1-amine?
dibenzoselenophen-1-amine has a molecular weight of 246.17 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzoselenophen-1-amine is sourced from PubChem (CID 164938107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).