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

C55H37N3OSi — CID 166569935

IUPAC[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C55H37N3OSi/c1-4-17-43(18-5-1)60(44-19-6-2-7-20-44,45-21-8-3-9-22-45)46-34-31-41(32-35-46)54-56-53(40-29-27-39(28-30-40)48-25-14-16-38-15-10-11-23-47(38)48)57-55(58-54)42-33-36-50-49-24-12-13-26-51(49)59-52(50)37-42/h1-37H
InChIKeyLPWSZOXBFPUOSW-UHFFFAOYSA-N
MW784.01 g/mol
LogP10.97
Rot. Bonds8

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

[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 166569935) has the molecular formula C55H37N3OSi and a molecular weight of 784.01 g/mol. Its IUPAC name is [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
PubChem CID166569935
Molecular FormulaC55H37N3OSi
Molecular Weight784.01 g/mol
Exact Mass783.27
IUPAC Name[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C55H37N3OSi/c1-4-17-43(18-5-1)60(44-19-6-2-7-20-44,45-21-8-3-9-22-45)46-34-31-41(32-35-46)54-56-53(40-29-27-39(28-30-40)48-25-14-16-38-15-10-11-23-47(38)48)57-55(58-54)42-33-36-50-49-24-12-13-26-51(49)59-52(50)37-42/h1-37H
InChIKeyLPWSZOXBFPUOSW-UHFFFAOYSA-N
XLogP10.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.01
LogP ≤ 510.97
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-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164822821
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
[3-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]-triphenylsilane
CID 177079309
2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244681
4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-1,3-benzoxazole
CID 163850421
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
[5-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-triphenylsilane
CID 166569888
2-dibenzofuran-3-yl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[9-(4-naphthalen-1-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 164954523
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995

Frequently Asked Questions

What is the IUPAC name of [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The IUPAC name of [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 166569935) is [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The InChIKey is LPWSZOXBFPUOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3OSi/c1-4-17-43(18-5-1)60(44-19-6-2-7-20-44,45-21-8-3-9-22-45)46-34-31-41(32-35-46)54-56-53(40-29-27-39(28-30-40)48-25-14-16-38-15-10-11-23-47(38)48)57-55(58-54)42-33-36-50-49-24-12-13-26-51(49)59-52(50)37-42/h1-37H.
What are the key properties of [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
[4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 784.01 g/mol, XLogP of 10.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166569935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).