2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

C57H35N3O — CID 171587269

IUPAC2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3c(-c4cccc5ccccc45)ccc4oc5c(-c6cccc7ccccc67)cccc5c34)n2)cc1
InChIInChI=1S/C57H35N3O/c1-2-17-40(18-3-1)55-58-56(41-32-30-39(31-33-41)43-25-10-19-36-14-4-7-22-42(36)43)60-57(59-55)53-48(46-26-11-20-37-15-5-8-23-44(37)46)34-35-51-52(53)50-29-13-28-49(54(50)61-51)47-27-12-21-38-16-6-9-24-45(38)47/h1-35H
InChIKeyJCGYGKVXYWZTPY-UHFFFAOYSA-N
MW777.93 g/mol
LogP15.23
Rot. Bonds6

About 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 171587269) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID171587269
Molecular FormulaC57H35N3O
Molecular Weight777.93 g/mol
Exact Mass777.28
IUPAC Name2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3c(-c4cccc5ccccc45)ccc4oc5c(-c6cccc7ccccc67)cccc5c34)n2)cc1
InChIInChI=1S/C57H35N3O/c1-2-17-40(18-3-1)55-58-56(41-32-30-39(31-33-41)43-25-10-19-36-14-4-7-22-42(36)43)60-57(59-55)53-48(46-26-11-20-37-15-5-8-23-44(37)46)34-35-51-52(53)50-29-13-28-49(54(50)61-51)47-27-12-21-38-16-6-9-24-45(38)47/h1-35H
InChIKeyJCGYGKVXYWZTPY-UHFFFAOYSA-N
XLogP15.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808678
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 156558838
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-[3-(4-naphthalen-1-yl-6-phenyldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168721799
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165071346
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 171587269) is 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3c(-c4cccc5ccccc45)ccc4oc5c(-c6cccc7ccccc67)cccc5c34)n2)cc1.
What is the InChIKey of 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is JCGYGKVXYWZTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-2-17-40(18-3-1)55-58-56(41-32-30-39(31-33-41)43-25-10-19-36-14-4-7-22-42(36)43)60-57(59-55)53-48(46-26-11-20-37-15-5-8-23-44(37)46)34-35-51-52(53)50-29-13-28-49(54(50)61-51)47-27-12-21-38-16-6-9-24-45(38)47/h1-35H.
What are the key properties of 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171587269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).