3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole

C36H23N3O — CID 58518663

IUPAC3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2-c2cccc3ccccc23)cc1
InChIInChI=1S/C36H23N3O/c1-2-11-26(12-3-1)35-37-38-36(39(35)32-18-8-13-24-10-4-5-14-28(24)32)27-22-20-25(21-23-27)29-16-9-17-31-30-15-6-7-19-33(30)40-34(29)31/h1-23H
InChIKeyIVHHQKQVKIYARA-UHFFFAOYSA-N
MW513.60 g/mol
LogP9.32
Rot. Bonds4

About 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole

3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole (PubChem CID 58518663) has the molecular formula C36H23N3O and a molecular weight of 513.60 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
PubChem CID58518663
Molecular FormulaC36H23N3O
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2-c2cccc3ccccc23)cc1
InChIInChI=1S/C36H23N3O/c1-2-11-26(12-3-1)35-37-38-36(39(35)32-18-8-13-24-10-4-5-14-28(24)32)27-22-20-25(21-23-27)29-16-9-17-31-30-15-6-7-19-33(30)40-34(29)31/h1-23H
InChIKeyIVHHQKQVKIYARA-UHFFFAOYSA-N
XLogP9.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-4-phenyl-1,2,4-triazole
CID 58518643
3-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068928
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
3-[4-(2,8-dinaphthalen-1-yldibenzofuran-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518677
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole (CID 58518663) is 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole is c1ccc(-c2nnc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2-c2cccc3ccccc23)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
The InChIKey is IVHHQKQVKIYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O/c1-2-11-26(12-3-1)35-37-38-36(39(35)32-18-8-13-24-10-4-5-14-28(24)32)27-22-20-25(21-23-27)29-16-9-17-31-30-15-6-7-19-33(30)40-34(29)31/h1-23H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole has a molecular weight of 513.60 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 58518663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).