2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine

C51H33N3O — CID 138691594

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C51H33N3O/c1-5-15-35(16-6-1)44-31-41(32-45(36-17-7-2-8-18-36)48(44)37-19-9-3-10-20-37)34-25-27-39(28-26-34)50-52-49(38-21-11-4-12-22-38)53-51(54-50)40-29-30-43-42-23-13-14-24-46(42)55-47(43)33-40/h1-33H
InChIKeyYHIFJLTYBWGCHQ-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 138691594) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID138691594
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C51H33N3O/c1-5-15-35(16-6-1)44-31-41(32-45(36-17-7-2-8-18-36)48(44)37-19-9-3-10-20-37)34-25-27-39(28-26-34)50-52-49(38-21-11-4-12-22-38)53-51(54-50)40-29-30-43-42-23-13-14-24-46(42)55-47(43)33-40/h1-33H
InChIKeyYHIFJLTYBWGCHQ-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691606
[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-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177079021
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942380
2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691591
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (CID 138691594) is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is YHIFJLTYBWGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-15-35(16-6-1)44-31-41(32-45(36-17-7-2-8-18-36)48(44)37-19-9-3-10-20-37)34-25-27-39(28-26-34)50-52-49(38-21-11-4-12-22-38)53-51(54-50)40-29-30-43-42-23-13-14-24-46(42)55-47(43)33-40/h1-33H.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138691594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).