2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C45H27N3O — CID 146918323

IUPAC2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccc(-c6cccc7oc8ccccc8c67)cc45)n3)ccc2c1
InChIInChI=1S/C45H27N3O/c1-3-11-31-25-34(23-19-28(31)9-1)43-46-44(35-24-20-29-10-2-4-12-32(29)26-35)48-45(47-43)37-16-7-13-30-21-22-33(27-39(30)37)36-15-8-18-41-42(36)38-14-5-6-17-40(38)49-41/h1-27H
InChIKeyACRCUTZGLGEMBS-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 146918323) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID146918323
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccc(-c6cccc7oc8ccccc8c67)cc45)n3)ccc2c1
InChIInChI=1S/C45H27N3O/c1-3-11-31-25-34(23-19-28(31)9-1)43-46-44(35-24-20-29-10-2-4-12-32(29)26-35)48-45(47-43)37-16-7-13-30-21-22-33(27-39(30)37)36-15-8-18-41-42(36)38-14-5-6-17-40(38)49-41/h1-27H
InChIKeyACRCUTZGLGEMBS-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 177112954
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 146918323) is 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5ccc(-c6cccc7oc8ccccc8c67)cc45)n3)ccc2c1.
What is the InChIKey of 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is ACRCUTZGLGEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-3-11-31-25-34(23-19-28(31)9-1)43-46-44(35-24-20-29-10-2-4-12-32(29)26-35)48-45(47-43)37-16-7-13-30-21-22-33(27-39(30)37)36-15-8-18-41-42(36)38-14-5-6-17-40(38)49-41/h1-27H.
What are the key properties of 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 146918323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).