2,6-diphenylselenopheno[3,2-f][1]benzoselenole

C22H14Se2 — CID 86054141

IUPAC2,6-diphenylselenopheno[3,2-f][1]benzoselenole
SMILESc1ccc(-c2cc3cc4cc(-c5ccccc5)[se]c4cc3[se]2)cc1
InChIInChI=1S/C22H14Se2/c1-3-7-15(8-4-1)19-12-17-11-18-13-20(16-9-5-2-6-10-16)24-22(18)14-21(17)23-19/h1-14H
InChIKeyXOASEBHDMGWIKK-UHFFFAOYSA-N
MW436.27 g/mol
LogP5.44
Rot. Bonds2

About 2,6-diphenylselenopheno[3,2-f][1]benzoselenole

2,6-diphenylselenopheno[3,2-f][1]benzoselenole (PubChem CID 86054141) has the molecular formula C22H14Se2 and a molecular weight of 436.27 g/mol. Its IUPAC name is 2,6-diphenylselenopheno[3,2-f][1]benzoselenole.

Molecular Properties

Compound Name2,6-diphenylselenopheno[3,2-f][1]benzoselenole
PubChem CID86054141
Molecular FormulaC22H14Se2
Molecular Weight436.27 g/mol
Exact Mass437.94
IUPAC Name2,6-diphenylselenopheno[3,2-f][1]benzoselenole
SMILESc1ccc(-c2cc3cc4cc(-c5ccccc5)[se]c4cc3[se]2)cc1
InChIInChI=1S/C22H14Se2/c1-3-7-15(8-4-1)19-12-17-11-18-13-20(16-9-5-2-6-10-16)24-22(18)14-21(17)23-19/h1-14H
InChIKeyXOASEBHDMGWIKK-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.27
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6-diphenylselenopheno[3,2-f][1]benzoselenole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-triphenylen-2-yl-1-benzoselenophene
CID 59245746
2-methyl-7-phenyl-[1]benzotellurolo[6,5-f][1]benzoselenole
CID 166512597
2,3-diphenyl-5-(3-triphenylen-2-ylphenyl)-1-benzoselenophene;2-triphenylen-2-yl-1-benzoselenophene;2-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
CID 160688540
2-(4-methylphenyl)selenochromen-4-one
CID 132819686
2,5-diphenyl-3-phenylselanylselenophene
CID 23625101
benzene;tris(1,1'-biphenyl)
CID 162155747
4-(4,5-diphenylselenophen-2-yl)aniline
CID 153406893
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
anthracene;benzene;naphthalene
CID 142706236
2,7-diphenylanthracene
CID 154020316
iridium;2-phenyl-6-phenylselenopheno[2,3-b]pyridine;2-phenylpyridine
CID 155629248

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylselenopheno[3,2-f][1]benzoselenole?
The IUPAC name of 2,6-diphenylselenopheno[3,2-f][1]benzoselenole (CID 86054141) is 2,6-diphenylselenopheno[3,2-f][1]benzoselenole.
What is the SMILES notation for 2,6-diphenylselenopheno[3,2-f][1]benzoselenole?
The canonical SMILES for 2,6-diphenylselenopheno[3,2-f][1]benzoselenole is c1ccc(-c2cc3cc4cc(-c5ccccc5)[se]c4cc3[se]2)cc1.
What is the InChIKey of 2,6-diphenylselenopheno[3,2-f][1]benzoselenole?
The InChIKey is XOASEBHDMGWIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Se2/c1-3-7-15(8-4-1)19-12-17-11-18-13-20(16-9-5-2-6-10-16)24-22(18)14-21(17)23-19/h1-14H.
What are the key properties of 2,6-diphenylselenopheno[3,2-f][1]benzoselenole?
2,6-diphenylselenopheno[3,2-f][1]benzoselenole has a molecular weight of 436.27 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylselenopheno[3,2-f][1]benzoselenole is sourced from PubChem (CID 86054141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).