2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine

C47H27N3O2 — CID 170016879

IUPAC2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5oc5ccc7ccccc7c56)ccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-29(12-3-1)45-48-46(50-47(49-45)38-17-9-19-40-43(38)36-14-6-7-18-39(36)51-40)33-23-21-30-26-32(22-20-31(30)27-33)35-15-8-16-37-42-34-13-5-4-10-28(34)24-25-41(42)52-44(35)37/h1-27H
InChIKeyQEVMTEVVFNOFNY-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170016879) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID170016879
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5oc5ccc7ccccc7c56)ccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H27N3O2/c1-2-11-29(12-3-1)45-48-46(50-47(49-45)38-17-9-19-40-43(38)36-14-6-7-18-39(36)51-40)33-23-21-30-26-32(22-20-31(30)27-33)35-15-8-16-37-42-34-13-5-4-10-28(34)24-25-41(42)52-44(35)37/h1-27H
InChIKeyQEVMTEVVFNOFNY-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

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Related Compounds

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
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-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743611
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617093

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (CID 170016879) is 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5oc5ccc7ccccc7c56)ccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is QEVMTEVVFNOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-11-29(12-3-1)45-48-46(50-47(49-45)38-17-9-19-40-43(38)36-14-6-7-18-39(36)51-40)33-23-21-30-26-32(22-20-31(30)27-33)35-15-8-16-37-42-34-13-5-4-10-28(34)24-25-41(42)52-44(35)37/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-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-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).