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

C41H25N3O — CID 168731930

IUPAC2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1[2H]
InChIInChI=1S/C41H25N3O/c1-2-13-27(14-3-1)39-42-40(44-41(43-39)35-23-11-25-37-38(35)34-17-6-7-24-36(34)45-37)33-22-10-20-31-30(19-9-21-32(31)33)29-18-8-15-26-12-4-5-16-28(26)29/h1-25H/i1D,2D,3D,13D,14D
InChIKeyUHAZAKMTLCLQLG-NDWIIPQNSA-N
MW580.70 g/mol
LogP10.75
Rot. Bonds4

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

2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 168731930) has the molecular formula C41H25N3O and a molecular weight of 580.70 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID168731930
Molecular FormulaC41H25N3O
Molecular Weight580.70 g/mol
Exact Mass580.23
IUPAC Name2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1[2H]
InChIInChI=1S/C41H25N3O/c1-2-13-27(14-3-1)39-42-40(44-41(43-39)35-23-11-25-37-38(35)34-17-6-7-24-36(34)45-37)33-22-10-20-31-30(19-9-21-32(31)33)29-18-8-15-26-12-4-5-16-28(26)29/h1-25H/i1D,2D,3D,13D,14D
InChIKeyUHAZAKMTLCLQLG-NDWIIPQNSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-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-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457215
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
[4-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569930
2-dibenzofuran-4-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170941804
2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457254
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808413
2-dibenzofuran-4-yl-4-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457308
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-(4-naphthalen-1-ylphenyl)-4-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050763
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171414704
2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170691103

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 168731930) is 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c(-c5cccc6ccccc56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1[2H].
What is the InChIKey of 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is UHAZAKMTLCLQLG-NDWIIPQNSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-13-27(14-3-1)39-42-40(44-41(43-39)35-23-11-25-37-38(35)34-17-6-7-24-36(34)45-37)33-22-10-20-31-30(19-9-21-32(31)33)29-18-8-15-26-12-4-5-16-28(26)29/h1-25H/i1D,2D,3D,13D,14D.
What are the key properties of 2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 580.70 g/mol, XLogP of 10.75, 4 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-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 168731930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).