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

C47H29N3O — CID 172545376

IUPAC2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4cc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-11-32(12-3-1)45-48-46(33-21-18-31(19-22-33)37-23-20-30-10-4-5-13-34(30)26-37)50-47(49-45)42-28-36-15-7-6-14-35(36)27-40(42)38-24-25-44-41(29-38)39-16-8-9-17-43(39)51-44/h1-29H
InChIKeyYLTIGALARNJKMX-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 172545376) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID172545376
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4cc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-11-32(12-3-1)45-48-46(33-21-18-31(19-22-33)37-23-20-30-10-4-5-13-34(30)26-37)50-47(49-45)42-28-36-15-7-6-14-35(36)27-40(42)38-24-25-44-41(29-38)39-16-8-9-17-43(39)51-44/h1-29H
InChIKeyYLTIGALARNJKMX-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

Analyze 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545420
2-(2-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176617013
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177079290
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165088202
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 165077353
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (CID 172545376) is 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4cc3-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is YLTIGALARNJKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-11-32(12-3-1)45-48-46(33-21-18-31(19-22-33)37-23-20-30-10-4-5-13-34(30)26-37)50-47(49-45)42-28-36-15-7-6-14-35(36)27-40(42)38-24-25-44-41(29-38)39-16-8-9-17-43(39)51-44/h1-29H.
What are the key properties of 2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-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-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 172545376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).