2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine

C47H29N3O — CID 176766284

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cccc(-c5ccc(-c6ccccc6)c6ccccc56)c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-30(14-4-1)34-27-28-38(36-19-8-7-18-35(34)36)37-21-11-17-31-25-26-33(29-41(31)37)46-48-45(32-15-5-2-6-16-32)49-47(50-46)40-22-12-24-43-44(40)39-20-9-10-23-42(39)51-43/h1-29H
InChIKeyPJQIRYCVFNPPIE-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 176766284) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID176766284
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cccc(-c5ccc(-c6ccccc6)c6ccccc56)c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-30(14-4-1)34-27-28-38(36-19-8-7-18-35(34)36)37-21-11-17-31-25-26-33(29-41(31)37)46-48-45(32-15-5-2-6-16-32)49-47(50-46)40-22-12-24-43-44(40)39-20-9-10-23-42(39)51-43/h1-29H
InChIKeyPJQIRYCVFNPPIE-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine
CID 160755193
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112743
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862
2-dibenzofuran-1-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazine
CID 177112850
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164978651
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine (CID 176766284) is 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4cccc(-c5ccc(-c6ccccc6)c6ccccc56)c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is PJQIRYCVFNPPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-13-30(14-4-1)34-27-28-38(36-19-8-7-18-35(34)36)37-21-11-17-31-25-26-33(29-41(31)37)46-48-45(32-15-5-2-6-16-32)49-47(50-46)40-22-12-24-43-44(40)39-20-9-10-23-42(39)51-43/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 176766284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).