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

C69H47N3OSi — CID 177079309

IUPAC[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c(-c3ccccc3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C69H47N3OSi/c1-7-22-48(23-8-1)55-45-62(49-38-40-52(41-39-49)68-70-67(51-26-11-3-12-27-51)71-69(72-68)54-42-43-61-60-36-19-20-37-64(60)73-65(61)47-54)66(50-24-9-2-10-25-50)63(46-55)53-28-21-35-59(44-53)74(56-29-13-4-14-30-56,57-31-15-5-16-32-57)58-33-17-6-18-34-58/h1-47H
InChIKeyGNFJEHUXRFBTPD-UHFFFAOYSA-N
MW962.24 g/mol
LogP14.82
Rot. Bonds11

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

[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane (PubChem CID 177079309) has the molecular formula C69H47N3OSi and a molecular weight of 962.24 g/mol. Its IUPAC name is [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane
PubChem CID177079309
Molecular FormulaC69H47N3OSi
Molecular Weight962.24 g/mol
Exact Mass961.35
IUPAC Name[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c(-c3ccccc3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C69H47N3OSi/c1-7-22-48(23-8-1)55-45-62(49-38-40-52(41-39-49)68-70-67(51-26-11-3-12-27-51)71-69(72-68)54-42-43-61-60-36-19-20-37-64(60)73-65(61)47-54)66(50-24-9-2-10-25-50)63(46-55)53-28-21-35-59(44-53)74(56-29-13-4-14-30-56,57-31-15-5-16-32-57)58-33-17-6-18-34-58/h1-47H
InChIKeyGNFJEHUXRFBTPD-UHFFFAOYSA-N
XLogP14.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.24
LogP ≤ 514.82
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

2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177079021
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691606
[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569935
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167

Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane?
The IUPAC name of [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane (CID 177079309) is [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane is c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c(-c3ccccc3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane?
The InChIKey is GNFJEHUXRFBTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3OSi/c1-7-22-48(23-8-1)55-45-62(49-38-40-52(41-39-49)68-70-67(51-26-11-3-12-27-51)71-69(72-68)54-42-43-61-60-36-19-20-37-64(60)73-65(61)47-54)66(50-24-9-2-10-25-50)63(46-55)53-28-21-35-59(44-53)74(56-29-13-4-14-30-56,57-31-15-5-16-32-57)58-33-17-6-18-34-58/h1-47H.
What are the key properties of [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane?
[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane has a molecular weight of 962.24 g/mol, XLogP of 14.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 177079309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).