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

C47H27N3O2 — CID 176617093

IUPAC2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6c(-c7cccc8ccccc78)cccc6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-2-13-30-27-31(26-25-28(30)11-1)45-48-46(37-20-9-23-40-42(37)35-16-5-6-22-39(35)51-40)50-47(49-45)38-21-10-24-41-43(38)36-19-8-18-34(44(36)52-41)33-17-7-14-29-12-3-4-15-32(29)33/h1-27H
InChIKeyOUNXLDDFGPTWHH-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

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

2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 176617093) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID176617093
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6c(-c7cccc8ccccc78)cccc6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-2-13-30-27-31(26-25-28(30)11-1)45-48-46(37-20-9-23-40-42(37)35-16-5-6-22-39(35)51-40)50-47(49-45)38-21-10-24-41-43(38)36-19-8-18-34(44(36)52-41)33-17-7-14-29-12-3-4-15-32(29)33/h1-27H
InChIKeyOUNXLDDFGPTWHH-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-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743611
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176818688
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine (CID 176617093) is 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6c(-c7cccc8ccccc78)cccc6c45)n3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is OUNXLDDFGPTWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-13-30-27-31(26-25-28(30)11-1)45-48-46(37-20-9-23-40-42(37)35-16-5-6-22-39(35)51-40)50-47(49-45)38-21-10-24-41-43(38)36-19-8-18-34(44(36)52-41)33-17-7-14-29-12-3-4-15-32(29)33/h1-27H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-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-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).