2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline

C30H21Br2NSi — CID 86232471

IUPAC2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline
SMILESBrc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(Br)ccc1N2c1ccccc1
InChIInChI=1S/C30H21Br2NSi/c31-22-16-18-27-29(20-22)34(25-12-6-2-7-13-25,26-14-8-3-9-15-26)30-21-23(32)17-19-28(30)33(27)24-10-4-1-5-11-24/h1-21H
InChIKeyIUWWFUWGNCZVKG-UHFFFAOYSA-N
MW583.40 g/mol
LogP6.37
Rot. Bonds3

About 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline

2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline (PubChem CID 86232471) has the molecular formula C30H21Br2NSi and a molecular weight of 583.40 g/mol. Its IUPAC name is 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline
PubChem CID86232471
Molecular FormulaC30H21Br2NSi
Molecular Weight583.40 g/mol
Exact Mass580.98
IUPAC Name2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline
SMILESBrc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(Br)ccc1N2c1ccccc1
InChIInChI=1S/C30H21Br2NSi/c31-22-16-18-27-29(20-22)34(25-12-6-2-7-13-25,26-14-8-3-9-15-26)30-21-23(32)17-19-28(30)33(27)24-10-4-1-5-11-24/h1-21H
InChIKeyIUWWFUWGNCZVKG-UHFFFAOYSA-N
XLogP6.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.40
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline 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 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline (CID 86232471) is 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline is Brc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(Br)ccc1N2c1ccccc1.
What is the InChIKey of 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline?
The InChIKey is IUWWFUWGNCZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Br2NSi/c31-22-16-18-27-29(20-22)34(25-12-6-2-7-13-25,26-14-8-3-9-15-26)30-21-23(32)17-19-28(30)33(27)24-10-4-1-5-11-24/h1-21H.
What are the key properties of 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline?
2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline has a molecular weight of 583.40 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromo-5,10,10-triphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 86232471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).