7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole

C26H12BrISe3 — CID 140869093

IUPAC7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole
SMILESBrc1cc2cc3[se]ccc3cc2cc1-c1[se]c2cc3cc4[se]ccc4cc3cc2c1I
InChIInChI=1S/C26H12BrISe3/c27-21-9-17-10-22-13(1-3-29-22)5-15(17)7-19(21)26-25(28)20-8-16-6-14-2-4-30-23(14)11-18(16)12-24(20)31-26/h1-12H
InChIKeyNYUYJMWTFBVAND-UHFFFAOYSA-N
MW768.07 g/mol
LogP7.66
Rot. Bonds1

About 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole

7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole (PubChem CID 140869093) has the molecular formula C26H12BrISe3 and a molecular weight of 768.07 g/mol. Its IUPAC name is 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole.

Molecular Properties

Compound Name7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole
PubChem CID140869093
Molecular FormulaC26H12BrISe3
Molecular Weight768.07 g/mol
Exact Mass769.67
IUPAC Name7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole
SMILESBrc1cc2cc3[se]ccc3cc2cc1-c1[se]c2cc3cc4[se]ccc4cc3cc2c1I
InChIInChI=1S/C26H12BrISe3/c27-21-9-17-10-22-13(1-3-29-22)5-15(17)7-19(21)26-25(28)20-8-16-6-14-2-4-30-23(14)11-18(16)12-24(20)31-26/h1-12H
InChIKeyNYUYJMWTFBVAND-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.07
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-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

Frequently Asked Questions

What is the IUPAC name of 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole?
The IUPAC name of 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole (CID 140869093) is 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole.
What is the SMILES notation for 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole?
The canonical SMILES for 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole is Brc1cc2cc3[se]ccc3cc2cc1-c1[se]c2cc3cc4[se]ccc4cc3cc2c1I.
What is the InChIKey of 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole?
The InChIKey is NYUYJMWTFBVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12BrISe3/c27-21-9-17-10-22-13(1-3-29-22)5-15(17)7-19(21)26-25(28)20-8-16-6-14-2-4-30-23(14)11-18(16)12-24(20)31-26/h1-12H.
What are the key properties of 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole?
7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole has a molecular weight of 768.07 g/mol, XLogP of 7.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-bromobenzo[f][1]benzoselenol-6-yl)-6-iodo-[1]benzoselenolo[5,6-f][1]benzoselenole is sourced from PubChem (CID 140869093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).