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

C57H37N3OSi — CID 166569924

IUPAC[3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C57H37N3OSi/c1-4-18-42(19-5-1)62(43-20-6-2-7-21-43,44-22-8-3-9-23-44)45-24-14-17-40(36-45)55-58-56(60-57(59-55)50-27-15-29-53-54(50)49-26-12-13-28-52(49)61-53)41-31-30-39-33-34-47-46-25-11-10-16-38(46)32-35-48(47)51(39)37-41/h1-37H
InChIKeySPKVJSRYJIDDMY-UHFFFAOYSA-N
MW808.03 g/mol
LogP11.61
Rot. Bonds7

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

[3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (PubChem CID 166569924) has the molecular formula C57H37N3OSi and a molecular weight of 808.03 g/mol. Its IUPAC name is [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
PubChem CID166569924
Molecular FormulaC57H37N3OSi
Molecular Weight808.03 g/mol
Exact Mass807.27
IUPAC Name[3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C57H37N3OSi/c1-4-18-42(19-5-1)62(43-20-6-2-7-21-43,44-22-8-3-9-23-44)45-24-14-17-40(36-45)55-58-56(60-57(59-55)50-27-15-29-53-54(50)49-26-12-13-28-52(49)61-53)41-31-30-39-33-34-47-46-25-11-10-16-38(46)32-35-48(47)51(39)37-41/h1-37H
InChIKeySPKVJSRYJIDDMY-UHFFFAOYSA-N
XLogP11.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.03
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane with MolForge

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Related Compounds

[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 166569883
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569886
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
[4-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569876
[3-(4-naphthalen-1-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 168730415
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766284
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783

Frequently Asked Questions

What is the IUPAC name of [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
The IUPAC name of [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane (CID 166569924) is [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
The canonical SMILES for [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
The InChIKey is SPKVJSRYJIDDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3OSi/c1-4-18-42(19-5-1)62(43-20-6-2-7-21-43,44-22-8-3-9-23-44)45-24-14-17-40(36-45)55-58-56(60-57(59-55)50-27-15-29-53-54(50)49-26-12-13-28-52(49)61-53)41-31-30-39-33-34-47-46-25-11-10-16-38(46)32-35-48(47)51(39)37-41/h1-37H.
What are the key properties of [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane?
[3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane has a molecular weight of 808.03 g/mol, XLogP of 11.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 166569924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).