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

C47H27N3O2 — CID 171445256

IUPAC2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5ccccc5cc4-c4cccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-2-11-29-24-32(21-20-28(29)10-1)45-48-46(33-22-23-42-38(27-33)34-14-5-7-17-40(34)51-42)50-47(49-45)39-26-31-13-4-3-12-30(31)25-37(39)35-16-9-19-43-44(35)36-15-6-8-18-41(36)52-43/h1-27H
InChIKeyHDLXHTVRFSEPQD-UHFFFAOYSA-N
MW665.75 g/mol
LogP12.64
Rot. Bonds4

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

2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 171445256) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID171445256
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5ccccc5cc4-c4cccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C47H27N3O2/c1-2-11-29-24-32(21-20-28(29)10-1)45-48-46(33-22-23-42-38(27-33)34-14-5-7-17-40(34)51-42)50-47(49-45)39-26-31-13-4-3-12-30(31)25-37(39)35-16-9-19-43-44(35)36-15-6-8-18-41(36)52-43/h1-27H
InChIKeyHDLXHTVRFSEPQD-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-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-(7-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146918323
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164747860
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
CID 163806375
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-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165088202

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 171445256) is 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5ccccc5cc4-c4cccc5oc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is HDLXHTVRFSEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-11-29-24-32(21-20-28(29)10-1)45-48-46(33-22-23-42-38(27-33)34-14-5-7-17-40(34)51-42)50-47(49-45)39-26-31-13-4-3-12-30(31)25-37(39)35-16-9-19-43-44(35)36-15-6-8-18-41(36)52-43/h1-27H.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-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-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 171445256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).