5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C51H40N2Si — CID 161100744

IUPAC5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(CCN3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C51H40N2Si/c1-5-21-39(22-6-1)51(40-23-7-2-8-24-40)43-29-13-15-31-45(43)52(46-32-16-14-30-44(46)51)37-38-53-47-33-17-19-35-49(47)54(41-25-9-3-10-26-41,42-27-11-4-12-28-42)50-36-20-18-34-48(50)53/h1-36H,37-38H2
InChIKeyZQPPMLOMCFMOHL-UHFFFAOYSA-N
MW708.98 g/mol
LogP9.05
Rot. Bonds7

About 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline

5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 161100744) has the molecular formula C51H40N2Si and a molecular weight of 708.98 g/mol. Its IUPAC name is 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID161100744
Molecular FormulaC51H40N2Si
Molecular Weight708.98 g/mol
Exact Mass708.30
IUPAC Name5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(CCN3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C51H40N2Si/c1-5-21-39(22-6-1)51(40-23-7-2-8-24-40)43-29-13-15-31-45(43)52(46-32-16-14-30-44(46)51)37-38-53-47-33-17-19-35-49(47)54(41-25-9-3-10-26-41,42-27-11-4-12-28-42)50-36-20-18-34-48(50)53/h1-36H,37-38H2
InChIKeyZQPPMLOMCFMOHL-UHFFFAOYSA-N
XLogP9.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.98
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[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 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 161100744) is 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is c1ccc(C2(c3ccccc3)c3ccccc3N(CCN3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is ZQPPMLOMCFMOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2Si/c1-5-21-39(22-6-1)51(40-23-7-2-8-24-40)43-29-13-15-31-45(43)52(46-32-16-14-30-44(46)51)37-38-53-47-33-17-19-35-49(47)54(41-25-9-3-10-26-41,42-27-11-4-12-28-42)50-36-20-18-34-48(50)53/h1-36H,37-38H2.
What are the key properties of 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 708.98 g/mol, XLogP of 9.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(9,9-diphenylacridin-10-yl)ethyl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 161100744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).