2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C47H27N3O2 — CID 166741531

IUPAC2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-3-11-30-25-33(19-17-28(30)9-1)45-48-46(34-20-18-29-10-2-4-12-31(29)26-34)50-47(49-45)39-24-23-35(44-43(39)38-14-6-8-16-41(38)52-44)32-21-22-37-36-13-5-7-15-40(36)51-42(37)27-32/h1-27H
InChIKeyLBTGWFGTRHKXMR-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 166741531) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID166741531
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-3-11-30-25-33(19-17-28(30)9-1)45-48-46(34-20-18-29-10-2-4-12-31(29)26-34)50-47(49-45)39-24-23-35(44-43(39)38-14-6-8-16-41(38)52-44)32-21-22-37-36-13-5-7-15-40(36)51-42(37)27-32/h1-27H
InChIKeyLBTGWFGTRHKXMR-UHFFFAOYSA-N
XLogP12.64
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-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-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617031
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 166741531) is 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is LBTGWFGTRHKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-3-11-30-25-33(19-17-28(30)9-1)45-48-46(34-20-18-29-10-2-4-12-31(29)26-34)50-47(49-45)39-24-23-35(44-43(39)38-14-6-8-16-41(38)52-44)32-21-22-37-36-13-5-7-15-40(36)51-42(37)27-32/h1-27H.
What are the key properties of 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 665.75 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 166741531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).