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

C43H27N3O — CID 169053843

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-31(12-3-1)41-44-42(46-43(45-41)37-17-9-19-39-40(37)36-16-6-7-18-38(36)47-39)35-15-8-14-33(27-35)29-20-22-30(23-21-29)34-25-24-28-10-4-5-13-32(28)26-34/h1-27H/i14D,15D,27D
InChIKeyQDXAMSZNWDFRPS-IYCFTUJMSA-N
MW604.73 g/mol
LogP11.26
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 169053843) has the molecular formula C43H27N3O and a molecular weight of 604.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID169053843
Molecular FormulaC43H27N3O
Molecular Weight604.73 g/mol
Exact Mass604.23
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-31(12-3-1)41-44-42(46-43(45-41)37-17-9-19-39-40(37)36-16-6-7-18-38(36)47-39)35-15-8-14-33(27-35)29-20-22-30(23-21-29)34-25-24-28-10-4-5-13-32(28)26-34/h1-27H/i14D,15D,27D
InChIKeyQDXAMSZNWDFRPS-IYCFTUJMSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171731204
2-dibenzofuran-1-yl-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 169053903
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine
CID 176844554

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine (CID 169053843) is 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine is [2H]c1cc([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c([2H])c1-c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is QDXAMSZNWDFRPS-IYCFTUJMSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-11-31(12-3-1)41-44-42(46-43(45-41)37-17-9-19-39-40(37)36-16-6-7-18-38(36)47-39)35-15-8-14-33(27-35)29-20-22-30(23-21-29)34-25-24-28-10-4-5-13-32(28)26-34/h1-27H/i14D,15D,27D.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 604.73 g/mol, XLogP of 11.26, 5 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-phenyl-6-[2,4,6-trideuterio-3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 169053843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).