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

C43H25N3O2 — CID 171457254

IUPAC2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)cc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(34-20-10-19-32-31-16-6-8-21-36(31)48-40(32)34)46-43(45-41)35-25-28(24-27-14-4-5-15-29(27)35)30-18-11-23-38-39(30)33-17-7-9-22-37(33)47-38/h1-25H/i1D,2D,3D,12D,13D
InChIKeyOBUZQFWMRVFUFE-AYAICNHJSA-N
MW620.72 g/mol
LogP11.49
Rot. Bonds4

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

2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 171457254) has the molecular formula C43H25N3O2 and a molecular weight of 620.72 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID171457254
Molecular FormulaC43H25N3O2
Molecular Weight620.72 g/mol
Exact Mass620.23
IUPAC Name2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)cc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(34-20-10-19-32-31-16-6-8-21-36(31)48-40(32)34)46-43(45-41)35-25-28(24-27-14-4-5-15-29(27)35)30-18-11-23-38-39(30)33-17-7-9-22-37(33)47-38/h1-25H/i1D,2D,3D,12D,13D
InChIKeyOBUZQFWMRVFUFE-AYAICNHJSA-N
XLogP11.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.72
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 171414622
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 167181780
2-dibenzofuran-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168731930
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-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 165025944
2-dibenzofuran-4-yl-4-[8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 168770269
9-[6-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 160655228
2-naphtho[2,3-b][1]benzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 163618516
2-dibenzofuran-4-yl-4-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 140946634
2-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-4-(3-naphtho[2,3-b][1]benzofuran-4-yldibenzofuran-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170927074
2-(3-dibenzofuran-4-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 170363777

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 171457254) is 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3cc(-c4cccc5oc6ccccc6c45)cc4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is OBUZQFWMRVFUFE-AYAICNHJSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(34-20-10-19-32-31-16-6-8-21-36(31)48-40(32)34)46-43(45-41)35-25-28(24-27-14-4-5-15-29(27)35)30-18-11-23-38-39(30)33-17-7-9-22-37(33)47-38/h1-25H/i1D,2D,3D,12D,13D.
What are the key properties of 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 620.72 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 171457254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).