[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane

C57H37N3OSSi — CID 140946225

IUPAC[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)cc5c34)n2)cc1
InChIInChI=1S/C57H37N3OSSi/c1-5-17-38(18-6-1)55-58-56(41-32-34-53-48(37-41)46-27-13-14-30-52(46)62-53)60-57(59-55)47-28-16-29-51-54(47)49-36-40(31-33-50(49)61-51)39-19-15-26-45(35-39)63(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-37H
InChIKeyMCEZQTLLGPMMOY-UHFFFAOYSA-N
MW840.10 g/mol
LogP12.18
Rot. Bonds8

About [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane

[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane (PubChem CID 140946225) has the molecular formula C57H37N3OSSi and a molecular weight of 840.10 g/mol. Its IUPAC name is [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane
PubChem CID140946225
Molecular FormulaC57H37N3OSSi
Molecular Weight840.10 g/mol
Exact Mass839.24
IUPAC Name[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)cc5c34)n2)cc1
InChIInChI=1S/C57H37N3OSSi/c1-5-17-38(18-6-1)55-58-56(41-32-34-53-48(37-41)46-27-13-14-30-52(46)62-53)60-57(59-55)47-28-16-29-51-54(47)49-36-40(31-33-50(49)61-51)39-19-15-26-45(35-39)63(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-37H
InChIKeyMCEZQTLLGPMMOY-UHFFFAOYSA-N
XLogP12.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.10
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane 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-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 163634296
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-phenyl-4-[8-(2-phenyldibenzothiophen-3-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744598
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519310
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 161021591
2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734654

Frequently Asked Questions

What is the IUPAC name of [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane (CID 140946225) is [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)cc5c34)n2)cc1.
What is the InChIKey of [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane?
The InChIKey is MCEZQTLLGPMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3OSSi/c1-5-17-38(18-6-1)55-58-56(41-32-34-53-48(37-41)46-27-13-14-30-52(46)62-53)60-57(59-55)47-28-16-29-51-54(47)49-36-40(31-33-50(49)61-51)39-19-15-26-45(35-39)63(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-37H.
What are the key properties of [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane?
[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane has a molecular weight of 840.10 g/mol, XLogP of 12.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 140946225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).