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

C47H29N3O — CID 174244681

IUPAC2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5ccccc5-c5cccc6ccccc56)ccc4c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-12-31(13-3-1)45-48-46(50-47(49-45)36-25-26-42-41-18-8-9-20-43(41)51-44(42)29-36)35-24-22-32-27-34(23-21-33(32)28-35)38-16-6-7-17-39(38)40-19-10-14-30-11-4-5-15-37(30)40/h1-29H
InChIKeyJFRZGIHRSLDZEM-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine (PubChem CID 174244681) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
PubChem CID174244681
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5ccccc5-c5cccc6ccccc56)ccc4c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-12-31(13-3-1)45-48-46(50-47(49-45)36-25-26-42-41-18-8-9-20-43(41)51-44(42)29-36)35-24-22-32-27-34(23-21-33(32)28-35)38-16-6-7-17-39(38)40-19-10-14-30-11-4-5-15-37(30)40/h1-29H
InChIKeyJFRZGIHRSLDZEM-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-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176617044
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
4-[3-dibenzofuran-3-yl-5-(2-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583522
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine (CID 174244681) is 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4cc(-c5ccccc5-c5cccc6ccccc56)ccc4c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is JFRZGIHRSLDZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-12-31(13-3-1)45-48-46(50-47(49-45)36-25-26-42-41-18-8-9-20-43(41)51-44(42)29-36)35-24-22-32-27-34(23-21-33(32)28-35)38-16-6-7-17-39(38)40-19-10-14-30-11-4-5-15-37(30)40/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-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-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174244681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).