dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane

C45H31N3SSi — CID 168845229

IUPACdibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C45H31N3SSi/c1-5-15-32(16-6-1)43-46-44(33-17-7-2-8-18-33)48-45(47-43)34-25-27-37(28-26-34)50(35-19-9-3-10-20-35,36-21-11-4-12-22-36)38-29-30-42-40(31-38)39-23-13-14-24-41(39)49-42/h1-31H
InChIKeyXTLXUYPTCUIZPQ-UHFFFAOYSA-N
MW673.92 g/mol
LogP8.62
Rot. Bonds7

About dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane

dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane (PubChem CID 168845229) has the molecular formula C45H31N3SSi and a molecular weight of 673.92 g/mol. Its IUPAC name is dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namedibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
PubChem CID168845229
Molecular FormulaC45H31N3SSi
Molecular Weight673.92 g/mol
Exact Mass673.20
IUPAC Namedibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C45H31N3SSi/c1-5-15-32(16-6-1)43-46-44(33-17-7-2-8-18-33)48-45(47-43)34-25-27-37(28-26-34)50(35-19-9-3-10-20-35,36-21-11-4-12-22-36)38-29-30-42-40(31-38)39-23-13-14-24-41(39)49-42/h1-31H
InChIKeyXTLXUYPTCUIZPQ-UHFFFAOYSA-N
XLogP8.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.92
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
dibenzothiophen-3-yl-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 164757082
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
[3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-triphenylsilane
CID 140946225
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
[4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722214

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane?
The IUPAC name of dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane (CID 168845229) is dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane.
What is the SMILES notation for dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane?
The canonical SMILES for dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane?
The InChIKey is XTLXUYPTCUIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3SSi/c1-5-15-32(16-6-1)43-46-44(33-17-7-2-8-18-33)48-45(47-43)34-25-27-37(28-26-34)50(35-19-9-3-10-20-35,36-21-11-4-12-22-36)38-29-30-42-40(31-38)39-23-13-14-24-41(39)49-42/h1-31H.
What are the key properties of dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane?
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane has a molecular weight of 673.92 g/mol, XLogP of 8.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 168845229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).