2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline

C52H88Br2Si — CID 150674535

IUPAC2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline
SMILESCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)[siH]c21
InChIInChI=1S/C52H88Br2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-52(49-45-46(53)39-40-47(49)48-41-42-50(54)55-51(48)52)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-42,45,55H,3-38,43-44H2,1-2H3
InChIKeyJGOWWZNKLYRNRM-UHFFFAOYSA-N
MW901.17 g/mol
LogP19.41
Rot. Bonds38

About 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline

2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline (PubChem CID 150674535) has the molecular formula C52H88Br2Si and a molecular weight of 901.17 g/mol. Its IUPAC name is 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline.

Molecular Properties

Compound Name2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline
PubChem CID150674535
Molecular FormulaC52H88Br2Si
Molecular Weight901.17 g/mol
Exact Mass898.50
IUPAC Name2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline
SMILESCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)[siH]c21
InChIInChI=1S/C52H88Br2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-52(49-45-46(53)39-40-47(49)48-41-42-50(54)55-51(48)52)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-42,45,55H,3-38,43-44H2,1-2H3
InChIKeyJGOWWZNKLYRNRM-UHFFFAOYSA-N
XLogP19.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline 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 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline?
The IUPAC name of 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline (CID 150674535) is 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline.
What is the SMILES notation for 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline?
The canonical SMILES for 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline is CCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)[siH]c21.
What is the InChIKey of 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline?
The InChIKey is JGOWWZNKLYRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H88Br2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-52(49-45-46(53)39-40-47(49)48-41-42-50(54)55-51(48)52)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-42,45,55H,3-38,43-44H2,1-2H3.
What are the key properties of 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline?
2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline has a molecular weight of 901.17 g/mol, XLogP of 19.41, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-di(icosyl)indeno[2,1-b]siline is sourced from PubChem (CID 150674535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).