2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine

C47H27N3O2 — CID 176617031

IUPAC2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cccc(-c7ccc8ccccc8c7)c6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-3-11-30-25-32(21-19-28(30)9-1)35-14-7-17-40-43(35)44-38(15-8-18-41(44)52-40)47-49-45(33-22-20-29-10-2-4-12-31(29)26-33)48-46(50-47)34-23-24-37-36-13-5-6-16-39(36)51-42(37)27-34/h1-27H
InChIKeyUVKPZVULBISEIZ-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 176617031) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID176617031
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cccc(-c7ccc8ccccc8c7)c6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-3-11-30-25-32(21-19-28(30)9-1)35-14-7-17-40-43(35)44-38(15-8-18-41(44)52-40)47-49-45(33-22-20-29-10-2-4-12-31(29)26-33)48-46(50-47)34-23-24-37-36-13-5-6-16-39(36)51-42(37)27-34/h1-27H
InChIKeyUVKPZVULBISEIZ-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

2,4-dinaphthalen-2-yl-6-(9-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170362703
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 165077353
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742625
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine (CID 176617031) is 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6cccc(-c7ccc8ccccc8c7)c6c45)n3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is UVKPZVULBISEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-3-11-30-25-32(21-19-28(30)9-1)35-14-7-17-40-43(35)44-38(15-8-18-41(44)52-40)47-49-45(33-22-20-29-10-2-4-12-31(29)26-33)48-46(50-47)34-23-24-37-36-13-5-6-16-39(36)51-42(37)27-34/h1-27H.
What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-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-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176617031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).